Name | Navitoclax-piperazine |
Iupac Chemical Name | (R)-4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((1-(phenylthio)-4-(piperazin-1-yl)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide |
Synonyms | Navitoclax-piperazine; ABT-263-piperazine; Precursor for DT2216 (DT22 16, DT 2216); |
Molecular Formula | C47H56ClF3N6O5S3 |
Molecular Weight | 973.63 |
Smile | O=C(NS(=O)(C1=CC=C(N[C@@H](CSC2=CC=CC=C2)CCN3CCNCC3)C(S(=O)(C(F)(F)F)=O)=C1)=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4 |
InChiKey | CRPNZDFOWRFBLZ-KXQOOQHDSA-N |
InChi | InChI=1S/C47H56ClF3N6O5S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-56-26-28-57(29-27-56)39-14-10-35(11-15-39)45(58)54-65(61,62)41-16-17-43(44(30-41)64(59,60)47(49,50)51)53-38(19-23-55-24-21-52-22-25-55)33-63-40-6-4-3-5-7-40/h3-17,30,38,52-53H,18-29,31-33H2,1-2H3,(H,54,58)/t38-/m1/s1 |
CAS Number | 2143096-93-7 |
Related CAS | |