CAS 1609384-83-9

XIAP BIR2/BIR2-3 inhibitor-2

Fórmula: C80H96N20O12

InChI: InChI=1S/C80H96N20O12/c1-45(81-9)70(101)87-67(79(3,4)5)76(107)97-33-31-63-65(97)74(105)84-60(39-49-19-25-51-15-11-13-17-53(51)35-49)72(103)83-59(69-91-93-94-92-69)37-47-21-27-57(28-22-47)111-43-55-41-100(96-89-55)64-32-34-98(77(108)68(80(6,7)8)88-71(102)46(2)82-10)66(64)75(106)85-61(40-50-20-26-52-16-12-14-18-54(52)36-50)73(104)86-62(78(109)110)38-48-23-29-58(30-24-48)112-44-56-42-99(63)95-90-56/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,103)(H,84,105)(H,85,106)(H,86,104)(H,87,101)(H,88,102)(H,109,110)(H,91,92,93,94)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1

Chave InChI: CNGSREOQTGGBIC-YZMHPAFASA-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](CC3=CC=C(C=C3)OCC4=CN([C@@H]5CCN([C@@H]5C(=O)N[C@H](C(=O)N[C@@H](CC6=CC=C(C=C6)OCC7=CN2N=N7)C8=NN=NN8)CC9=CC1=CC=CC=C1C=C9)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)N=N4)C(=O)O)CC1=CC2=CC=CC=C2C=C1)C(C)(C)C)NC

Sinónimos:

• XIAP BIR2/BIR2-3 inhibitor-2

XIAP BIR2/BIR2-3 inhibitor-2

CAS: 1609384-83-9

XIAP BIR2/BIR2-3 Inhibitor-2 is a dual inhibitor of BIR2 and BIR2-3 with IC₅₀ values less than 1 nM. It can be used in the study of cancers [1].

Fórmula: C₈₀H₉₆N₂₀O₁₂

Peso molecular: 1529.75

Ref: TM-T87641