| SpectraBase Spectrum ID |
HvtoAMz1AP |
| Name |
(+)-JQ1 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
11187 |
| Lot Number |
0451708-49 |
| CAS Registry Number |
1268524-70-4 |
| Classification |
displaces BET proteins from chromatin by competitively binding to the acetyl-lysine recognition pocket of BET bromodomains |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25ClN4O2S |
| IUPAC Name |
(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 1,1-dimethylethyl ester |
| InChI |
InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 |
| InChIKey |
DNVXATUJJDPFDM-KRWDZBQOSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
456.992 g/mol |
| SMILES |
c12\C(=N/[C@](c3nnc([n]3-c1sc(c2C)C)C)(CC(OC(C)(C)C)=O)[H])c1ccc(cc1)Cl |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
KBr0 |
