BAY-299, TAF1 and BRD1 inhibitor

주요 정보

CAS 번호

2080306-23-4

Purity

>98%

제형

Solid

form

Molecular weight

429.5 Da

Molecular formula

C₂₅H₂₃N₃O₄

PubChem

122705990

Nature

Synthetic

Solubility

100 mM in DMSO

생화학적 명칭

6-(3-Oxidanylpropyl)-2-(1,3,6-Trimethyl-2-Oxidanylidene-Benzimidazol-5-Yl)benzo[de]isoquinoline-1,3-Dione

생물학적 정보

Potent and selective bromodomain inhibitor of TAF1 (IC₅₀ = 8-13 nM) and BRD1 (IC₅₀ = 6-67 nM). More than 30-fold selective versus BRD9 and ATAD2. More than 300-fold selective versus BRD4. Inhibits BRD1 (IC₅₀ = 0.58 μM) and TAF1 (IC₅₀ = 0.9 μM) binding to Histone H4 in cell-based assays; also inhibits BRD1 (IC₅₀ = 0.83 μM) and TAF1 (IC₅₀ = 1.4 μM) binding to Histone H3.3.

Canonical SMILES

CC1=CC2=C(C=C1N3C(=O)C4=C5C(=C(C=C4)CCCO)C=CC=C5C3=O)N(C(=O)N2C)C

InChi

InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3

InChiKey

OFWWWKWUCDUISA-UHFFFAOYSA-N

IUPAC Name

6-(3-hydroxypropyl)-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione