Information
CPI-637 CPI-637 is a selective and cell-active benzodiazepinone CBP/EP300 bromodomain inhibitor with IC50 values of 0.03 μM and 0.051μM for CBP and EP300 respectively in TR-FRET assay. It is highly selective against other bromodomains, displaying substantial biochemical activity only against BRD9.
Targets
CBP (Cell-free assay); EP300 (Cell-free assay) 0.03 μM; 0.051 μM
In vitro
CPI-637 inhibits MYC expression in AMO-1 cells (EC50=0.60 μM).
Cell Research(from reference)
Cell lines：AMO-1 cells
Concentrations：0-5 μM
Incubation Time：6 h
| Pubchem Sid | 504772939 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772939 |
| Sonrisas canónicas | CC1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)C |
| IUPAC Name | (4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one |
| InChIKey | BFTKDWYIRJGJCA-CYBMUJFWSA-N |
| INCHI | 1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1 |
| Isómeros SMILES | C[C@@H]1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)C |
| Peso molecular | 386.45 |
| Reaxy-Rn | 39359318 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39359318&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Beta amino acids and derivatives Indazoles Secondary alkylarylamines 1,4-diazepines Benzenoids Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodiazepine - Beta amino acid or derivatives - Benzopyrazole - Indazole - Para-diazepine - Secondary aliphatic/aromatic amine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). |
| External Descriptors | Not available |
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| Solubilidad | Solubility (25°C) In vitro DMSO: 26 mg/mL (67.27 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| Peso molecular | 386.400 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 386.186 Da |
| Monoisotopic Mass | 386.186 Da |
| Topological Polar Surface Area | 76.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 616.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
I2208707