| SpectraBase Compound ID | 78bkTjNoHQF |
|---|---|
| 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 |
| Mol Weight | 456.99 g/mol |
| Molecular Formula | C23H25ClN4O2S |
| Exact Mass | 456.138675 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7zlKfxJH1Ga |
|---|---|
| Name | (+)-JQ1 |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 11187 |
| Lot Number | 0451708-49 |
| CAS Registry Number | 1268524-70-4 |
| Classification | chemical probe to investigate the role of BET bromodomains in the transcriptional regulation of oncogenesis |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H25ClN4O2S |
| 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 |
| Molecular Weight | 456.992 g/mol |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 4-(4-Chlorophenyl)-2,3,9-trimethyl-1,1-dimethylethyl ester-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6S-acetic acid (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 |
| Technique | FT-Raman |