CAS 1434125-52-6

Fórmula: C86H106N18O16S2

InChI: InChI=1S/C86H106N18O16S2/c1-49(87-9)75(105)93-73(85(3,4)5)83(113)101-45-59-41-71(101)81(111)91-69(39-55-21-15-19-53-17-11-13-23-65(53)55)77(107)89-67(79(109)97-121(115,116)63-33-34-63)37-51-27-31-62(32-28-51)120-48-58-44-104(100-96-58)60-42-72(102(46-60)84(114)74(86(6,7)8)94-76(106)50(2)88-10)82(112)92-70(40-56-22-16-20-54-18-12-14-24-66(54)56)78(108)90-68(80(110)98-122(117,118)64-35-36-64)38-52-25-29-61(30-26-52)119-47-57-43-103(59)99-95-57/h11-32,43-44,49-50,59-60,63-64,67-74,87-88H,33-42,45-48H2,1-10H3,(H,89,107)(H,90,108)(H,91,111)(H,92,112)(H,93,105)(H,94,106)(H,97,109)(H,98,110)/t49-,50-,59-,60-,67-,68-,69-,70-,71-,72-,73+,74+/m0/s1

Chave InChI: PPCQNLGHXHFDBC-NNVBWZIESA-N

SMILES: C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=CN([C@H]5C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC6=CC=C(C=C6)OCC7=CN2N=N7)C(=O)NS(=O)(=O)C8CC8)CC9=CC=CC1=CC=CC=C19)N(C5)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)N=N4)C(=O)NS(=O)(=O)C1CC1)CC1=CC=CC2=CC=CC=C21)C(C)(C)C)NC

XIAP BIR2/BIR2-3 inhibitor-3

CAS: 1434125-52-6

XIAP BIR2/BIR2-3 Inhibitor-3 functions as a dual inhibitor targeting both BIR2 and BIR2-3 domains, exhibiting potent activity with IC₅₀ values below 1 nM. This compound is utilized in cancer research [1].

Fórmula: C₈₆H₁₀₆N₁₈O₁₆S₂

Cor e Forma: Solid

Peso molecular: 1712

Ref: TM-T87642