ChemicalBook--->CAS DataBase List--->1300019-38-8

1300019-38-8

1300019-38-8 Structure

1300019-38-8 Structure
IdentificationBack Directory
[Name]

Target Protein-binding moiety 4
[CAS]

1300019-38-8
[Synonyms]

I-BET762 carboxylic acid
GSK525762A carboxylic acid
Molibresib carboxylic acid
PROTAC BRD4-binding moiety 2
Target Protein-binding moiety 4
I BET762 carboxylic acid,I-BET-762 carboxylic acid,IBET762 carboxylic acid
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-methoxy-1-methyl-, (4S)-
[Molecular Formula]

C20H17ClN4O3
[MOL File]

1300019-38-8.mol
[Molecular Weight]

396.83
Chemical PropertiesBack Directory
[Boiling point ]

648.3±65.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 7.14 mg/mL (17.99 mM)
[form ]

Solid
[pka]

4.12±0.10(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Description]

Target Protein-binding moiety 4 is a BRD4(1) inhibitor with an IC50 of 7.9 μM.

Target Protein-binding moiety 4 (compound 32) is a BRD4 (1) inhibitor with an IC50 of 7.9 μM[1].

[Uses]

I-BET762 carboxylic acid (Molibresib carboxylic acid) is an I-BET762-based warhead ligand for conjugation reactions of PROTAC targeting on BET. I-BET762 carboxylic acid (Molibresib carboxylic acid) is a BRD4 inhibitor with a pIC50 of 5.1[1].
[IC 50]

BRD4: 5.1 (pIC50)
[storage]

Store at -20°C
[References]

[1]. Yifei Yang, et al. Combined pharmacophore models as virtual screening protocol against BRD4(1) inhibitor. Medicinal Chemistry Research (2016), 25(4), 585-595.

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