CHDI-390576

Name: CHDI-390576
Brand: MedChemExpress
SKU: HY-119939
Rating: 4.5 (1 reviews)

Cat. No.: HY-119939 Purity: 98.07%: FAQs
Data Sheet SDS COA Handling Instructions

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CHDI-390576, a potent, cell permeable and CNS penetrant class IIa histone deacetylase (HDAC) inhibitor with IC₅₀s of 54 nM, 60 nM, 31 nM, 50 nM for class IIa HDAC4, HDAC5, HDAC7, HDAC9, respectively, shows >500-fold selectivity over class I HDACs (1, 2, 3) and ~150-fold selectivity over HDAC8 and the class IIb HDAC6 isoform.

For research use only. We do not sell to patients.

CHDI-390576 Chemical Structure

CAS No. : 1629729-98-1

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 132	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 132	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 120	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 200	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 400	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 650	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1050	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Based on 1 publication(s) in Google Scholar

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View All Isoforms

HDAC HDAC1 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HDAC10 HDAC11 HD1 HD2

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

HDAC4

54 nM (IC₅₀)

HDAC5

60 nM (IC₅₀)

HDAC7

31 nM (IC₅₀)

hHDAC9

50 nM (IC₅₀)

HDAC1

39.7 μM (IC₅₀)

HDAC3

25.8 μM (IC₅₀)

HDAC8

9.1 μM (IC₅₀)

hHDAC6

6.2 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	> 30 μM Compound: 22	Inhibition of HDAC class 1 in human A549 cells using histone H4K12 as substrate measured after 4 hrs by Western blot analysis Inhibition of HDAC class 1 in human A549 cells using histone H4K12 as substrate measured after 4 hrs by Western blot analysis	[PMID: 30463802]
A549	IC₅₀	17 μM Compound: 22	Inhibition of HDAC6 in human A549 cells using tubulin as substrate measured after 4 hrs by Western blot analysis Inhibition of HDAC6 in human A549 cells using tubulin as substrate measured after 4 hrs by Western blot analysis	[PMID: 30463802]
HEK293	IC₅₀	6.2 μM Compound: 22	Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]
Jurkat	IC₅₀	> 50 μM Compound: 22	Inhibition of HDAC class 1/2b in human Jurkat cells using Boc-Lys-Ac as substrate preincubated for 2 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay Inhibition of HDAC class 1/2b in human Jurkat cells using Boc-Lys-Ac as substrate preincubated for 2 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay	[PMID: 30463802]
Jurkat	IC₅₀	0.069 μM Compound: 22	Inhibition of HDAC class 2a/HDAC8 in human Jurkat cells using Boc-Lys-TFA as substrate preincubated for 2 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay Inhibition of HDAC class 2a/HDAC8 in human Jurkat cells using Boc-Lys-TFA as substrate preincubated for 2 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay	[PMID: 30463802]
Jurkat	IC₅₀	0.069 μM Compound: 22	Inhibition of HDAC class 2a in human Jurkat cells using Boc-Lys-TFA as substrate preincubated for 2 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay Inhibition of HDAC class 2a in human Jurkat cells using Boc-Lys-TFA as substrate preincubated for 2 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay	[PMID: 30463802]
Sf9	IC₅₀	> 50 μM Compound: 22	Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-Gly-Lys(Ac) as substrate measured after 60 mins by fluorescence assay Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-Gly-Lys(Ac) as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]
Sf9	IC₅₀	0.031 μM Compound: 22	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]
Sf9	IC₅₀	0.05 μM Compound: 22	Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]
Sf9	IC₅₀	0.06 μM Compound: 22	Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]
Sf9	IC₅₀	39.7 μM Compound: 22	Inhibition of human full length C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay Inhibition of human full length C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]
Sf9	IC₅₀	9.1 μM Compound: 22	Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay	[PMID: 30463802]

In Vitro

The affinity (K_d) of CHDI-390576 to the catalytic domain of immobilized HDAC4 is 80 nM^[1].
CHDI-390576 inhibits class I HDACs (1, 3, 8) and class IIb HDAC6 isoforms with IC₅₀s of 39.7μM, 25.8 μM, 9.1 μM, 6.2 μM, respectively^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

391.32

Formula

C₁₉H₁₃F₄N₃O₂

CAS No.

1629729-98-1

Appearance

Solid

Color

White to off-white

SMILES

O=C(NO)C(C1=C(F)C=CC=C1)C2=CC=C(C3=NC=C(C(F)(F)F)C=N3)C=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (638.86 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.5555 mL	12.7773 mL	25.5545 mL
5 mM	0.5111 mL	2.5555 mL	5.1109 mL
10 mM	0.2555 mL	1.2777 mL	2.5555 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (5.32 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (5.32 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (5.32 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.07%

Select Batch:

Data Sheet (273 KB) SDS (251 KB)

COA (249 KB) RP-HPLC (245 KB) MS (71 KB)

Handling Instructions (2659 KB)

References

[1]. Luckhurst CA, et al. Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor. Bioorg Med Chem Lett. 2019 Jan 1;29(1):83-88. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.5555 mL	12.7773 mL	25.5545 mL	63.8863 mL
	5 mM	0.5111 mL	2.5555 mL	5.1109 mL	12.7773 mL
	10 mM	0.2555 mL	1.2777 mL	2.5555 mL	6.3886 mL
	15 mM	0.1704 mL	0.8518 mL	1.7036 mL	4.2591 mL
	20 mM	0.1278 mL	0.6389 mL	1.2777 mL	3.1943 mL
	25 mM	0.1022 mL	0.5111 mL	1.0222 mL	2.5555 mL
	30 mM	0.0852 mL	0.4259 mL	0.8518 mL	2.1295 mL
	40 mM	0.0639 mL	0.3194 mL	0.6389 mL	1.5972 mL
	50 mM	0.0511 mL	0.2555 mL	0.5111 mL	1.2777 mL
	60 mM	0.0426 mL	0.2130 mL	0.4259 mL	1.0648 mL
	80 mM	0.0319 mL	0.1597 mL	0.3194 mL	0.7986 mL
	100 mM	0.0256 mL	0.1278 mL	0.2555 mL	0.6389 mL

CHDI-390576 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

CHDI-3905761629729-98-1CHDI390576CHDI 390576HDACHistone deacetylasesInhibitorinhibitorinhibit

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CHDI-390576

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References

Customer Review

CHDI-390576 Related Antibodies

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Dilution Calculator

Complete Stock Solution Preparation Table

CHDI-390576 Related Classifications

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