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Results for "

Electrophilicity

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Amine N-methyltransferase (1) Antibiotic (1) Apoptosis (1) Autophagy (1) Bacterial (4) Cannabinoid Receptor (1) Cytochrome P450 (3) DNA/RNA Synthesis (1) Drug-Linker Conjugates for ADC (1) E1/E2/E3 Enzyme (1) Endogenous Metabolite (4) FKBP (1) Fluorescent Dye (3) Fungal (2) Glutathione S-transferase (1) Isotope-Labeled Compounds (1) Keap1-Nrf2 (1) NF-κB (1) Nucleoside Antimetabolite/Analog (1) Parasite (1) PARP (1) Photosensitizer (1) PPAR (1) PROTACs (1) ROS Kinase (1)
By Research Areas:	Cancer (15) Cardiovascular Disease (3) Infection (5) Inflammation/Immunology (5) Metabolic Disease (5) Neurological Disease (2)
Click Chemistry:	Alkynes (1)

Inhibitors & Agonists

Screening Libraries

Fluorescent Dye

Natural
Products

Isotope-Labeled Compounds

Click Chemistry

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-149461

KB-05	Others	Others
KB-05 is an electrophilic fragment molecule that can be used in DIA-based quantitative chemical proteomic screening studies.

HY-W016286

2,6-Dithiopurine 2,6-Dimercaptopurine	Others	Cancer
2,6-Dithiopurine (2,6-Dimercaptopurine) is a nucleophilic scavenger for electrophilic carcinogens. 2,6-Dithiopurine abolishes both DNA adduct formation and the initiation of carcinogenesis .

HY-135235

Cysteine thiol probe	Fluorescent Dye	Others
Cysteine Thiol Probe is a thiol-based probe designed to label electrophilic natural products. Cysteine Thiol Probe possesses each of the characteristics of an ideal pharmacophore probe, and has a chromophore. Cysteine Thiol Probe is capable of engaging enone-, β-lactam-, and β-lactone-based electrophilic metabolites .

HY-156395

MN551	E1/E2/E3 Enzyme	Cancer
MN551 is a potent inhibitor of cysteine-directed electrophilic covalent that plays important roles in the biology of SOCS2 and its CRL5 complex, and as E3 ligase handles in proteolysis targeting chimera (PROTACs) to induce targeted protein degradation .

HY-150221

DB008	PARP	Cancer
DB008 is potent and selective PARP16 inhibitor with an IC₅₀ value of 0.27 μM, containing an acrylamide electrophilic reagent. DB008 is membrane-permeable and marks PARP16 selectively . DB008 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

HY-W017187

2-tert-Butyl-1,4-benzoquinone	Apoptosis	Cancer
2-tert-Butyl-1,4-benzoquinone is an electrophilic metabolite of butylated hydroxyanisole and an oxidation product of 2-tert-butylhydroquinone .

HY-163804

Cyprocide-B	Cytochrome P450 Parasite	Others
Cyprocide-B is activated by Cytochrome P450 and converted to electrophilic metabolites that selectively kill nematodes C. elegans. Cyprocide-B is promising for research of selective nematicide .

HY-164910

AHL-Pu-2	DNA/RNA Synthesis	Metabolic Disease Inflammation/Immunology
AHL-Pu-2 is the clickable electrophilic purine. AHL-Pu-2 can be used to directly quantify protein-RNA interactions on proteins through photoaffinity competition with 4-thiouridine (4SU)-labeled RNA in cells .

HY-149933

AM841	Cannabinoid Receptor	Neurological Disease
AM841 is a high-affinity electrophilic ligand. AM841 interacts covalently with a cysteine in helix six and activates the CB1 cannabinoid receptor. AM841 reduces Forskolin (HY-15371)-stimulated cAMP accumulation. AM841 also slows gastrointestinal motility .

HY-116115

17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid 17-Oxo-DPA; 17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-DPA	NF-κB PPAR	Inflammation/Immunology
17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid (17-Oxo-DPA; 17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-DPA) is an electrophilic oxo-derivative (EFOX) of the docosahexaenoic acid (DHA) (HY-B2167). 17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid is generated during inflammation by COX-2-catalyzed mechanism in activated macrophages. 17-Oxo-7(Z),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid acts as an agonist for PPARγ and a modulator for NF-κB signaling pathway, inhibits the production of pro-inflammatory cytokines and nitric oxide, and exhibits anti-inflammatory efficacy .

HY-132183

Chloride peroxidase	Endogenous Metabolite	Metabolic Disease
Chloride peroxidase is a monomeric, heme-containing enzyme. Chloride peroxidase is capable of electrophilic chlorinations through the umpolung of chloride by oxidation with hydrogen peroxide .

HY-123815

BRD5459	ROS Kinase	Cancer
BRD5459 is a ROS chemical probe. BRD5459 can increase ROS, a marker of oxidative stress in cells, without causing cell death .

HY-D1375A

Sulfo-Cy5 amine hydrochloride	Fluorescent Dye	Others
Sulfo-Cy5 amine hydrochloride is a near-infrared (NIR) amino fluorescent dye. Sulfo-Cy5 amine hydrochloride reacts with electrophilic substances .

HY-21065

Tienilic acid Ticrynafen; ANP 3624	Cytochrome P450	Cardiovascular Disease Metabolic Disease
Tienilic acid (Ticrynafen; ANP 3624) acts as a diuretic hypotensive agent. However, Tienilic acid induces hepatotoxicity. Tienilic acid is converted into electrophilic metabolites by cytochrome P450 (CYP) in vitro .

HY-124250

9-OxoOTrE 9-KOTrE	Fungal	Infection
9-OxoOTrE (9-KOTrE) is an antifungal agent against B. cinerea, C. herbarum, P. infestans, and P. parasitica, through a mechanism based on their electrophilic nature .

HY-W011640

7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol	Others	Cancer
7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters , which are capable of forming covalent DNA adducts and inducing mutations .

HY-21065R

Tienilic acid (Standard)	Cytochrome P450	Metabolic Disease
Tienilic acid (Standard) is the analytical standard of Tienilic acid. This product is intended for research and analytical applications. Tienilic acid (Ticrynafen; ANP 3624) acts as a diuretic hypotensive agent. However, Tienilic acid induces hepatotoxicity. Tienilic acid is converted into electrophilic metabolites by cytochrome P450 (CYP) in vitro .

HY-W591408

DBCO-Val-Cit-PAB-MMAE	Drug-Linker Conjugates for ADC	Cancer
DBCO-Val-Cit-PAB-MMAE is a drug-linker conjugate, which can be used for the synthesis of ADC molecules. MMAE (HY-15162) is a tubulin inhibitor, which can be used as an ADC toxin. DBCO-Val-Cit-PAB is the linker with the electrophilic group .

HY-150228

MitoCur-1	Others	Cancer
MitoCur-1, a curcumin analogue, is an inhibitor of mitochondrial antioxidative thioredoxin reductase 2 (TrxR2). MitoCur-1 has electrophilic and mitochondrial-targeting properties. MitoCur-1 induces reactive oxygen species (ROS) generation, exerts specifically antitumor efficacy .

HY-N0794

Proanthocyanidins 3 Publications Verification	Bacterial Fungal	Infection Cardiovascular Disease Inflammation/Immunology Cancer
Proanthocyanidin (Procyanidin) are a class of polyphenolic that are widely distributed in higher plants, consisted of an electrophilic flavanyl unit. Proanthocyanidin can be used as antioxidant and anti-cancers agent. Proanthocyanidin also exhibit anti-inflammatory, cardioprotective, antibacterial and antifungal properties, which can be used in the treatment of chronic venous insufficiency, capillary fragility, sunburn and retinopathy. .

HY-W010482S

3-Ethylaniline-d5	Isotope-Labeled Compounds	Cancer
3-Ethylaniline-d₅ is the deuterium labeled 3-Ethylaniline (HY-W010482). 3-Ethylaniline is metabolized in vivo to electrophilic intermediates that covalently bind to DNA and that adducts are formed in the DNA of bladder. 3-Ethylaniline can be used for the research of bladder cancer[1][2].

HY-W041343

4-Benzoylbenzoic acid Benzoylbenzoicacid	Bacterial Antibiotic Photosensitizer	Infection
4-(Phenylcarbonyl)benzoic acid is a photooxidant. Upon light activation, 4-(Phenylcarbonyl)benzoic acid forms an electrophilic aromatic ketone that acts as an oxidant in organic synthesis or biological systems. 4-(Phenylcarbonyl)benzoic acid has been used in the study of amino acid oxidation, as well as the synthesis of photoactivated antibacterial and antiviral compounds ¹ ² ³.

HY-W325356

tert-Butyl 3,5-dinitrobenzoate	Fluorescent Dye	Cancer
Tert-butyl 3,5-dinitrobenzoate is an intermediate or reactant in organic synthesis and can also play a role in drug synthesis, dye preparation and other chemical fields.The nitro functional group of Tert-butyl 3,5-dinitrobenzoate has certain reactivity in organic chemistry and can participate in various reactions, such as electrophilic substitution, aromatic amine reaction, etc .

HY-N6856

4-Hydroxycoumarin	Bacterial Endogenous Metabolite	Infection Cancer
4-Hydroxycoumarin is an orally active coumarin derivative, one of the most versatile heterocyclic scaffolds, often used in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin is an HIV protease inhibitor and tyrosine kinase inhibitor. 4-Hydroxycoumarin has anti-inflammatory, antibacterial and anti-tumor effects .

HY-134314

8-Nitro-cGMP	Autophagy Endogenous Metabolite Nucleoside Antimetabolite/Analog	Cardiovascular Disease Metabolic Disease Inflammation/Immunology
8-Nitro-cGMP is an electrophilic second messenger of redox signaling that can form a protein-S-cGMP adduct in s-guanylation process. 8-Nitro-cGMP is an autophagy inducer. 8-Nitro-cGMP promotes RANKL-induced osteoclast differentiation from macrophages. 8-Nitro-cGMP has vasodilator effect, and ameliorates the vascular endothelial dysfunction in diabetic mice .

HY-147196

KB03-SLF	PROTACs FKBP	Cancer
KB03-SLF (compound 6) is an electrophilic PROTAC degrader that binds to DCAF16 to degrade the nuclear protein FKBP12. KB03-SLF can be used in cancer research . (Pink: Ligand for target protein SLF (HY-114872); Black: Linker (HY-W040168); Blue: Ligand for E3 ligase (HY-169968)).

HY-W093017

4-Chloropyridine	Amine N-methyltransferase	Others
4-Chloropyridine is an inhibitor of nicotinamide N-methyltransferase (NNMT). It can act as a substrate for NNMT and, during its catalytic reaction, enhances the electrophilicity of the C4 position by methylating the nitrogen atom of the pyridine ring. This promotes an aromatic nucleophilic substitution reaction with the non-catalytic cysteine (C159) in NNMT, ultimately leading to the suicide inhibition of NNMT's activity. 4-Chloropyridine holds potential for the development of NNMT activity-based probes .

HY-N6856R

4-Hydroxycoumarin (Standard)	Bacterial Endogenous Metabolite	Infection Cancer
4-Hydroxycoumarin (Standard) is the analytical standard of 4-Hydroxycoumarin. This product is intended for research and analytical applications. 4-Hydroxycoumarin is an orally active coumarin derivative, one of the most versatile heterocyclic scaffolds, often used in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin is an HIV protease inhibitor and tyrosine kinase inhibitor. 4-Hydroxycoumarin has anti-inflammatory, antibacterial and anti-tumor effects .

HY-N0548

α-Angelica lactone 2 Publications Verification	Glutathione S-transferase	Cancer
α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes .

HY-163027

R079	Keap1-Nrf2	Neurological Disease Inflammation/Immunology
R079 (compound 17) is a selective, orally active Nrf2 activator. R079 increases Nrf2 translocation activity (EC₅₀ = 32.41 μM). R079 can neutralize excess levels of reactive oxygen species through activating Nrf2. R079 has anti-inflammatory properties and can be used in multiple sclerosis research .

Cat. No.	Product Name

HY-L0118V

Asinex Covalent Inhibitors Library	942 compounds
A unique set of molecules containing mild electrophilic moieties that covalently interact with amino acid residues in the target protein. The diversity of our compounds for covalent drug discovery ranges from natural product-like scaffolds to macrocycles, creating multiple opportunities in hit generation for a selected target.

HY-L916

Multifunctional Covalent Fragment Library	4,900 compounds
Different functional groups confer unique chemical properties and reactivity characteristics to compounds. The presence of these functional groups not only affects the physical properties of the compounds, such as solubility and boiling point, but also determines their chemical reactivity and potential applications in chemical synthesis. Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 4,900 multifunctional covalent fragments.

Multifunctional Covalent Fragment Library

4,900 compounds

Different functional groups confer unique chemical properties and reactivity characteristics to compounds. The presence of these functional groups not only affects the physical properties of the compounds, such as solubility and boiling point, but also determines their chemical reactivity and potential applications in chemical synthesis.

Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 4,900 multifunctional covalent fragments.

HY-L909

Covalent Fragment Library	8,900 compounds
Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged. Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 8,900 fragment molecules with covalent modification potential, which can target various reactive amino acid residues and can be used for fragment-based covalent drug discovery.

Covalent Fragment Library

8,900 compounds

Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged.

HY-L914

Serine/Threonine Focused Covalent Fragment Library	3,300 compounds
In the research of covalent inhibitors targeting serine and threonine, scientists have found that the nucleophilicity of these hydroxyl groups is significantly enhanced due to the influence of their surrounding environment. This results in higher activity during catalytic reactions. Aspirin, which targets the non-catalytic domain serine (Ser529 in human COX1) of cyclooxygenase, exerts its anti-inflammatory effect through covalent binding. β-lactam antibiotics, which targets the catalytic domain serine of penicillin-binding proteins, interferes with bacterial cell wall synthesis. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 3,300 fragment molecules which can target serine and threonine residues and can be used for fragment-based covalent drug discovery.

Serine/Threonine Focused Covalent Fragment Library

3,300 compounds

In the research of covalent inhibitors targeting serine and threonine, scientists have found that the nucleophilicity of these hydroxyl groups is significantly enhanced due to the influence of their surrounding environment. This results in higher activity during catalytic reactions. Aspirin, which targets the non-catalytic domain serine (Ser529 in human COX1) of cyclooxygenase, exerts its anti-inflammatory effect through covalent binding. β-lactam antibiotics, which targets the catalytic domain serine of penicillin-binding proteins, interferes with bacterial cell wall synthesis.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 3,300 fragment molecules which can target serine and threonine residues and can be used for fragment-based covalent drug discovery.

HY-L915

Lysine Focused Covalent Fragment Library	445 compounds
Lysine is the second most common target residue used in the design of TCIs and related covalent ligands. Its appeal lies in its abundance in human proteins, which is approximately three times higher than that of cysteine (5.8% vs. 1.9%). This significantly increases the number of proteins suitable for covalent targeting, especially given that many human proteins lack ligandable cysteine residues. Moreover, it has been suggested that functional lysines have a lower probability of being replaced by mutation, as they often play a crucial role in catalysis by acting as bases or nucleophiles. Additionally, lysines are essential for maintaining the structural integrity of proteins and for regulating post-translational modifications (PTMs). Consequently, targeting lysine has garnered significant interest in recent years. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 445 fragment molecules which can target lysine residue and can be used for fragment-based covalent drug discovery.

Lysine Focused Covalent Fragment Library

445 compounds

Lysine is the second most common target residue used in the design of TCIs and related covalent ligands. Its appeal lies in its abundance in human proteins, which is approximately three times higher than that of cysteine (5.8% vs. 1.9%). This significantly increases the number of proteins suitable for covalent targeting, especially given that many human proteins lack ligandable cysteine residues. Moreover, it has been suggested that functional lysines have a lower probability of being replaced by mutation, as they often play a crucial role in catalysis by acting as bases or nucleophiles. Additionally, lysines are essential for maintaining the structural integrity of proteins and for regulating post-translational modifications (PTMs). Consequently, targeting lysine has garnered significant interest in recent years.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 445 fragment molecules which can target lysine residue and can be used for fragment-based covalent drug discovery.

HY-L913

Tyrosine Focused Covalent Fragment Library	124 compounds
Recently, significant advancements in tyrosine-targeting electrophiles have primarily occurred in the field of protein-protein interactions (PPIs), where cysteine residues are often underrepresented and novel chemistries are needed to address these interfaces. In this context, tyrosines are frequently more accessible compared to more buried binding sites. Moreover, they are commonly found at "hot spots," which are functional epitopes of PPIs, with 12.3% of the residues consisting of tyrosines. This prevalence is likely due to the hydrophobic nature of tyrosine, its ability to participate in aromatic π-interactions, and its capacity for hydrogen bonding. Beyond PPIs, some progress has also been made in covalent tyrosine targeting in other areas where more commonly addressed side chains are lacking. Even though tyrosine has a slightly lower pKa value compared to the protonated lysine side chain (approximately 10 vs. 10.5 for the unprotected amino acid side chains), significantly less progress has been made in the development of tyrosine-targeted covalent ligands compared to lysine. This is likely due to the reduced flexibility of the tyrosine side chain and the greater steric hindrance of its hydroxy group, which makes it more challenging to adopt suitable reaction geometries. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 124 fragment molecules which can target tyrosine residue and can be used for fragment-based covalent drug discovery.

Tyrosine Focused Covalent Fragment Library

124 compounds

Recently, significant advancements in tyrosine-targeting electrophiles have primarily occurred in the field of protein-protein interactions (PPIs), where cysteine residues are often underrepresented and novel chemistries are needed to address these interfaces. In this context, tyrosines are frequently more accessible compared to more buried binding sites. Moreover, they are commonly found at "hot spots," which are functional epitopes of PPIs, with 12.3% of the residues consisting of tyrosines. This prevalence is likely due to the hydrophobic nature of tyrosine, its ability to participate in aromatic π-interactions, and its capacity for hydrogen bonding. Beyond PPIs, some progress has also been made in covalent tyrosine targeting in other areas where more commonly addressed side chains are lacking. Even though tyrosine has a slightly lower pKa value compared to the protonated lysine side chain (approximately 10 vs. 10.5 for the unprotected amino acid side chains), significantly less progress has been made in the development of tyrosine-targeted covalent ligands compared to lysine. This is likely due to the reduced flexibility of the tyrosine side chain and the greater steric hindrance of its hydroxy group, which makes it more challenging to adopt suitable reaction geometries.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 124 fragment molecules which can target tyrosine residue and can be used for fragment-based covalent drug discovery.

Sulfo-Cy5 amine hydrochloride	Fluorescent Dyes/Probes
Sulfo-Cy5 amine hydrochloride is a near-infrared (NIR) amino fluorescent dye. Sulfo-Cy5 amine hydrochloride reacts with electrophilic substances .

Cat. No.	Product Name	Category	Target	Chemical Structure