CPI-637

Protein target name: 
CREBBP, EP300
Mechanism of action: 
Antagonist

Target Details

Target class: 
Epigenetics
Subclass: 
Bromodomain
Target alias: 
CREB binding protein, CBP, KAT3A, RSTS, RSTS1, E1A binding protein p300, KAT3B, RSTS2, p300

Probe Details

Chemical Probes Portal ID: 
CPP1319
SMILES string: 
C[C@@H]1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)C
InChi Key: 
BFTKDWYIRJGJCA-CYBMUJFWSA-N
Control compound: 
enant-CPI-637: S)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one

Physico-chemical properties

NMR: 

1H NMR (400 MHz, CDCl3) δ 8.03 (s, 1 H), 7.93 - 7.89 (m, 1H), 7.83 - 7.81 (m, 1H), 7.53 - 7.49 (m, 1H), 7.43 - 7.39 (m, 1H), 7.13 - 7.07 (m, 1H), 7.01 - 6.92 (m, 2H), 4.15 (s, 3H), 4.01 (s, 3H), 3.99 - 3.96 (m, 1H), 2.82 - 2.75 (m, 1H), 2.51 - 2.45 (m, 1H), 1.19 (d, J = 6.27 Hz, 3H). 13C NMR (400 MHz, CDCl3) δ 171.71, 139.95, 137.01, 136.90, 136.49, 133.80, 130.60, 128.42, 127.48, 127.25, 127.05, 121.53, 120.99, 120.84, 120.32, 114.69, 109.18, 54.51, 40.36, 38.62, 35.06, 23.06.

Primary Reference