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2201082-98-4

2201082-98-4 Structure

2201082-98-4 Structure
IdentificationBack Directory
[Name]

I-BET787
[CAS]

2201082-98-4
[Synonyms]

I-BET787
[Molecular Formula]

C16H20ClN3O2
[MOL File]

2201082-98-4.mol
[Molecular Weight]

321.8
Chemical PropertiesBack Directory
[Boiling point ]

512.380±60.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.328±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[solubility ]

DMSO: 2 mg/mL, clear
[form ]

Solid
[pka]

3.180±0.31(predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

I-BET787 is a pan-BET bromine domain inhibitor with oral activity. I-BET787 shows effectiveness in a mouse model of inflammation[1].
[References]

[1] Hirst DJ, et al. Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J Med Chem. 2024 Jun 27;67(12):10464-10489. DOI:10.1021/acs.jmedchem.4c00959
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