For research use only. Not for therapeutic Use.
BET bromodomain inhibitor 4 (example 7) is an inhibitor of the BET bromodomain domain[1].
| Catalog Number | I040019 |
| CAS Number | 2407658-41-5 |
| Synonyms | 2-[10-(3,5-dimethyltriazol-4-yl)-7-[(S)-(3-fluoropyridin-2-yl)-(oxan-4-yl)methyl]-3-methyl-3,4,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl]propan-2-ol |
| Molecular Formula | C27H31FN8O2 |
| Purity | ≥95% |
| InChI | InChI=1S/C27H31FN8O2/c1-15-22(35(5)33-31-15)17-13-19-21(30-14-17)24-25(26(27(2,3)37)32-34(24)4)36(19)23(16-8-11-38-12-9-16)20-18(28)7-6-10-29-20/h6-7,10,13-14,16,23,37H,8-9,11-12H2,1-5H3/t23-/m0/s1 |
| InChIKey | AOABNCJLYRKHNM-QHCPKHFHSA-N |
| SMILES | CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3C(C5CCOCC5)C6=C(C=CC=N6)F)C(=NN4C)C(C)(C)O)N=C2 |
| Reference | [1]. Preparation of tricyclic compounds as bromodomain and BET inhibitors. World Intellectual Property Organization, WO2020001152 A1 2020-01-02. |
