CAS 1609384-59-9

Fórmula: C72H96N16O14

InChI: InChI=1S/C72H96N16O14/c1-41(73-9)61(89)79-59(71(3,4)5)67(95)87-31-27-55-57(87)65(93)77-53(35-43-23-25-45-17-11-13-19-47(45)33-43)63(91)75-51(69(97)98)21-15-30-86-38-50(82-84-86)40-102-56-28-32-88(68(96)60(72(6,7)8)80-62(90)42(2)74-10)58(56)66(94)78-54(36-44-24-26-46-18-12-14-20-48(46)34-44)64(92)76-52(70(99)100)22-16-29-85-37-49(39-101-55)81-83-85/h11-14,17-20,23-26,33-34,37-38,41-42,51-60,73-74H,15-16,21-22,27-32,35-36,39-40H2,1-10H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,89)(H,80,90)(H,97,98)(H,99,100)/t41-,42-,51+,52+,53-,54-,55+,56+,57-,58-,59+,60+/m0/s1

Chave InChI: UZIAKDBFVNIMHM-AHKGGJCZSA-N

SMILES: C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@H](C(=O)N[C@H](CCCN3C=C(CO[C@@H]4CCN([C@@H]4C(=O)N[C@H](C(=O)N[C@H](CCCN5C=C(CO2)N=N5)C(=O)O)CC6=CC7=CC=CC=C7C=C6)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)N=N3)C(=O)O)CC8=CC9=CC=CC=C9C=C8)C(C)(C)C)NC

XIAP BIR2/BIR2-3 inhibitor-1

CAS: 1609384-59-9

XIAP BIR2/BIR2-3 inhibitor-1 (compound 3) serves as a potent dual inhibitor targeting BIR2 and BIR2-3 domains, with IC₅₀ values of 1.9 nM and 0.8 nM, respectively. This compound is utilized in cancer research studies [1].

Fórmula: C₇₂H₉₆N₁₆O₁₄

Cor e Forma: Solid

Peso molecular: 1409.63

Ref: TM-T87640