Molibresib (Synonyms: I-BET762; GSK525762; GSK525762A)

Name: Molibresib
Brand: MedChemExpress
SKU: HY-13032
Rating: 5.0 (22 reviews)

Cat. No.: HY-13032 Purity: 99.94%: FAQs
Data Sheet SDS COA Handling Instructions

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Molibresib (I-BET762; GSK525762) is a BET bromodomain inhibitor with IC₅₀ of 32.5-42.5 nM.

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

Molibresib Chemical Structure

CAS No. : 1260907-17-2

Size	Price	Stock	Quantity

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Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 117	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 117	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 106	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 156	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 456	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 750	In-stock	Estimated Time of Arrival: December 31
200 mg	USD 1200	In-stock	Estimated Time of Arrival: December 31
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Based on 22 publication(s) in Google Scholar

Other Forms of Molibresib:

20 Publications Citing Use of MCE Molibresib

: Molibresib purchased from MedChemExpress. Usage Cited in: Nat Med. 2017 Sep;23(9):1055-1062. [Abstract]; Western blot of WCL of C4-2 cells treated with vehicle (DMSO) or different doses of JQ1 or i-BET for 24 h. Actin is used as a loading control.

: Molibresib purchased from MedChemExpress. Usage Cited in: Oncotarget. 2016 Jun 21;7(25):38319-38332. [Abstract]; iBET762 partially disrupts the interaction between full-length ERG and BRD4 (A), and between T1-E4 ERG and BRD4 (B).

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Protocol
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Description

Molibresib (I-BET762; GSK525762) is a BET bromodomain inhibitor with IC₅₀ of 32.5-42.5 nM.

IC₅₀ & Target

IC50: 32.5-42.5 nM (BET)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
697	EC₅₀	1.17 μM Compound: 2; GSK525762A	Cytotoxicity against human 697 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay Cytotoxicity against human 697 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	[PMID: 29170024]
HepG2	EC₅₀	700 nM Compound: 3, I-BET762, GSK525762A	Induction of human ApoA1 gene expression in stably transfected human HepG2 cells coexpressing luciferase reporter gene after 18 hrs by luminescence assay Induction of human ApoA1 gene expression in stably transfected human HepG2 cells coexpressing luciferase reporter gene after 18 hrs by luminescence assay	[PMID: 22924434]
HepG2	EC₅₀	700 nM Compound: 2, GSK525762A	Induction of human ApoA1 gene expression in stably transfected human HepG2 cells coexpressing luciferase reporter gene after 18 hrs by luminescence assay Induction of human ApoA1 gene expression in stably transfected human HepG2 cells coexpressing luciferase reporter gene after 18 hrs by luminescence assay	[PMID: 21568322]
HL-60	IC₅₀	0.12 μM Compound: I-BET762	Cytotoxicity against human HL60 cells by MTS assay Cytotoxicity against human HL60 cells by MTS assay	[PMID: 29657099]
K562	IC₅₀	> 2000 nM Compound: 2, I-BET-762	Cytotoxicity against human K562 cells harboring BCR-ABL fusion gene assessed as growth inhibition after 4 days by CellTiter-Glo luminescent assay Cytotoxicity against human K562 cells harboring BCR-ABL fusion gene assessed as growth inhibition after 4 days by CellTiter-Glo luminescent assay	[PMID: 26080064]
Kasumi 1	IC₅₀	0.21 μM Compound: 1; IBET762	Antiproliferative activity against human Kasumi-1 cells after 72 hrs by Celltiter-Glo assay Antiproliferative activity against human Kasumi-1 cells after 72 hrs by Celltiter-Glo assay	[PMID: 30905542]
LOUCY	EC₅₀	> 5 μM Compound: 2; GSK525762A	Cytotoxicity against human Loucy cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay Cytotoxicity against human Loucy cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	[PMID: 29170024]
MM1.S	IC₅₀	0.23 μM Compound: 2; I-BET762	Antiproliferative activity against human MM1S cells after 72 hrs by CCK8 assay Antiproliferative activity against human MM1S cells after 72 hrs by CCK8 assay	[PMID: 28586718]
MM1.S	IC₅₀	141 nM Compound: 1; I-BET762	Antiproliferative activity against human MM1S cells assessed as cell growth inhibition after 4 days by CCK8 assay Antiproliferative activity against human MM1S cells assessed as cell growth inhibition after 4 days by CCK8 assay	[PMID: 31461688]
MM1.S	IC₅₀	349.2 nM Compound: 2; I-BET762	Antiproliferative activity against human MM1S cells after 72 hrs by CCK8 assay Antiproliferative activity against human MM1S cells after 72 hrs by CCK8 assay	[PMID: 29525435]
MOLM-13	IC₅₀	241 nM Compound: 2, I-BET-762	Cytotoxicity against human MOLM13 cells harboring MLL1 fusion gene assessed as growth inhibition after 4 days by CellTiter-Glo luminescent assay Cytotoxicity against human MOLM13 cells harboring MLL1 fusion gene assessed as growth inhibition after 4 days by CellTiter-Glo luminescent assay	[PMID: 26080064]
MOLM-13	IC₅₀	241 nM Compound: 4; I-BET762	Growth inhibition of human MOLM13 cells after 4 days by WST-8 assay Growth inhibition of human MOLM13 cells after 4 days by WST-8 assay	[PMID: 28463487]
MV4-11	IC₅₀	0.8 μM Compound: 1; I-BET762	Cytotoxicity against human MV411 cells after 72 hrs by CellTiter-Glo assay Cytotoxicity against human MV411 cells after 72 hrs by CellTiter-Glo assay	[PMID: 30268702]
MV4-11	IC₅₀	1.23 μM Compound: I-BET-762	Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human MV4-11 cells assessed as reduction in cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 32631570]
MV4-11	IC₅₀	112 nM Compound: 1; I-BET762	Antiproliferative activity against human MV4-11 cells assessed as cell growth inhibition after 4 days by CCK8 assay Antiproliferative activity against human MV4-11 cells assessed as cell growth inhibition after 4 days by CCK8 assay	[PMID: 31461688]
MV4-11	IC₅₀	93 nM Compound: 2, I-BET-762	Cytotoxicity against human MV4-11 cells harboring MLL1 fusion gene assessed as growth inhibition after 4 days by CellTiter-Glo luminescent assay Cytotoxicity against human MV4-11 cells harboring MLL1 fusion gene assessed as growth inhibition after 4 days by CellTiter-Glo luminescent assay	[PMID: 26080064]
MV4-11	IC₅₀	93 nM Compound: 4; I-BET762	Growth inhibition of human MV4-11 cells after 4 days by WST-8 assay Growth inhibition of human MV4-11 cells after 4 days by WST-8 assay	[PMID: 28463487]
NALM-6	EC₅₀	0.39 μM Compound: 2; GSK525762A	Cytotoxicity against human NALM6 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay Cytotoxicity against human NALM6 cells assessed as reduction in cell viability after 5 days by CellTiter-Glo assay	[PMID: 29170024]
Raji	IC₅₀	0.19 μM Compound: I-BET762	Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs	[PMID: 24900758]

In Vitro

Molibresib (I-BET 762) shows the highest affinity interaction with BET. Molibresib binds to the tandem bromodomains of BET with high affinity (dissociation constant K_d of 50.5-61.3 nM). Molibresib displaces, with high efficacy (half-maximum inhibitory concentration IC₅₀ of 32.5-42.5 nM), a tetra-acetylated H4 peptide that had been pre-bound to tandem bromodomains of BET^[1]. Molibresib has high affinity for BD1/BD2 domain of BRD2/3/4 proteins. Molibresib treatment leads to a reduction in the recruitment of all three proteins to chromatin^[2]. Molibresib inhibits OPM-2 cell proliferation with IC₅₀ of 60.15 nM^[3].

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

In Vivo

The antimyeloma activity of Molibresib (I-BET 762) is tested dosed orally in an in vivo systemic xenograft model generated by injecting OPM-2 cells into NOD-SCID mice. Daily oral doses of Molibresib up to 10 mg/kg and 30 mg/kg given every other day are well tolerated with no clear impact on body weight compared with vehicle control. The plasma hLC concentration is significantly reduced in mice treated with Molibresib^[3].

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

Clinical Trial

Molecular Weight

423.90

Formula

C₂₂H₂₂ClN₅O₂

CAS No.

1260907-17-2

Appearance

Solid

Color

Off-white to yellow

SMILES

ClC1=CC=C(C2=N[C@@H](CC(NCC)=O)C3=NN=C(C)N3C4=CC=C(OC)C=C24)C=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 200 mg/mL (471.81 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

1M HCl : 100 mg/mL (235.90 mM; ultrasonic and adjust pH to 1 with HCl)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.3590 mL	11.7952 mL	23.5905 mL
5 mM	0.4718 mL	2.3590 mL	4.7181 mL
10 mM	0.2359 mL	1.1795 mL	2.3590 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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: ≥ 2.5 mg/mL (5.90 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: 5% DMSO 40% PEG300 5% Tween-80 50% Saline
Solubility: ≥ 2.5 mg/mL (5.90 mM); Clear solution
Protocol 3

Add each solvent one by one: 5% DMSO 95% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (5.90 mM); Clear solution
Protocol 4

Add each solvent one by one: 1% DMSO 99% Saline
Solubility: ≥ 0.5 mg/mL (1.18 mM); Clear solution

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

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mg/kg

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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: 99.94%

Select Batch:

Data Sheet (283 KB) SDS (393 KB)

COA (253 KB) LCMS (95 KB)

Handling Instructions (2659 KB)

References

[1]. Nicodeme E, et al. Suppression of inflammation by a synthetic histone mimic. Nature. 2010 Dec 23;468(7327):1119-23. [Content Brief]

[2]. Asangani IA, et al. Therapeutic targeting of BET bromodomain proteins in castration-resistant prostate cancer. Nature. 2014 Jun 12;510(7504):278-82. [Content Brief]

[3]. Chaidos A, et al. Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762. Blood. 2014 Jan 30;123(5):697-705. [Content Brief]

Cell Assay ^[2]	VCaP, LNCaP, 22RV1, DU145 and PC3 prostate cancer cell lines are seeded in 96-well plates at 2000-10,000 cells/well (optimum density for growth) in a total volume of 100μL media containing 10% FBS. Serially diluted compounds in 100μL media are added to the cells 12hr later. Following 96 hr. incubation, cell viability is assessed by Cell-Titer GLO. The values are normalized and IC₅₀ is calculated using GraphPad Prism software. For long-term colony formation assay, 10,000-50,000 cells/well are seeded in six-well plates and treated with either 100 nM or 500 nM of JQ1 or DMSO. After 12 days cells are fixed with methanol, stained with crystal violet and photographed. For colorimetric assays, the stained wells are treated with 500μL 10% acetic acid and the absorbance is measured at 560nm using a spectrophotometer^[2]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[3]	Mice^[3] The antimyeloma efficacy of orally administered Molibresib is tested in a systemic xenograft myeloma model. For this purpose, sublethally irradiated (200 cGy) NOD/SCID mice age 9 to 11 weeks are given 10⁷ OPM-2 myeloma cells via tail vein injection. On day 15 following inoculation, animals are started on oral treatment with Molibresib at escalating doses or vehicle (1% methylcellulose and 0.2% sodium lauryl sulfate), which is continued up to day 83. Specifically, 1 group of mice are treated with vehicle and 4 groups with different dosing schedules of Molibresib: 3 mg/kg per day; 10 mg/kg per day; 30 mg/kg on alternate days; and 30 to 20 mg/kg per day (ie, 30 mg/kg per day for 14 days, followed by 2 weeks [days 15 to 31] off treatment [drug is withheld due to a decline in body weight until animals has regained weight], follow by 20 mg/kg per day until termination of the experiment [days 43 to 82]). Blood samples (~70 μL) are removed at 0.5 hours after oral administration of Molibresib on day 15 (treatment initiation); days 27, 45, and 82 (3, 10, and 20 to 30 mg/kg once per day groups only); and day 83 (30 mg/kg once every other day group only). The blood is centrifuged to obtain 20 μL plasma and stored at -20°C prior to analysis for Molibresib by using a specific liquid chromatography/mass spectrometry/mass spectrometry assay. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Nicodeme E, et al. Suppression of inflammation by a synthetic histone mimic. Nature. 2010 Dec 23;468(7327):1119-23. [Content Brief] [2]. Asangani IA, et al. Therapeutic targeting of BET bromodomain proteins in castration-resistant prostate cancer. Nature. 2014 Jun 12;510(7504):278-82. [Content Brief] [3]. Chaidos A, et al. Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762. Blood. 2014 Jan 30;123(5):697-705. [Content Brief]

Complete Stock Solution Preparation Table

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

1M HCl / DMSO	1 mM	2.3590 mL	11.7952 mL	23.5905 mL	58.9762 mL
	5 mM	0.4718 mL	2.3590 mL	4.7181 mL	11.7952 mL
	10 mM	0.2359 mL	1.1795 mL	2.3590 mL	5.8976 mL
	15 mM	0.1573 mL	0.7863 mL	1.5727 mL	3.9317 mL
	20 mM	0.1180 mL	0.5898 mL	1.1795 mL	2.9488 mL
	25 mM	0.0944 mL	0.4718 mL	0.9436 mL	2.3590 mL
	30 mM	0.0786 mL	0.3932 mL	0.7863 mL	1.9659 mL
	40 mM	0.0590 mL	0.2949 mL	0.5898 mL	1.4744 mL
	50 mM	0.0472 mL	0.2359 mL	0.4718 mL	1.1795 mL
	60 mM	0.0393 mL	0.1966 mL	0.3932 mL	0.9829 mL
	80 mM	0.0295 mL	0.1474 mL	0.2949 mL	0.7372 mL
	100 mM	0.0236 mL	0.1180 mL	0.2359 mL	0.5898 mL

Molibresib 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:

Molibresib1260907-17-2I-BET762 GSK525762 GSK525762AGSK525762GSK 525762GSK-525762Epigenetic Reader DomainInhibitorinhibitorinhibit

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Molibresib (Synonyms: I-BET762; GSK525762; GSK525762A)

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Molibresib Related Antibodies

20 Publications Citing Use of MCE Molibresib

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Complete Stock Solution Preparation Table

Molibresib Related Classifications

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