AEG40730 HCl

Name: AEG40730 HCl
CAS#: 1883545-50-3 (HCl)
Chemical Formula: C52H70Cl2F6N8O8
Exact Mass:
Molecular Weight: 1120.0704
Elemental Analysis: C, 55.76; H, 6.30; Cl, 6.33; F, 10.18; N, 10.00; O, 11.43

Description: AEG40730 is a potent and selective IAP antagonist and a BIR-binding tetrapeptide. AEG40730 binds to cIAP1 and cIAP2, facilitates their autoubiquitination and proteosomal degradation, and causes a dramatic reduction in RIP1 ubiquitination. Treatment with nanomolar concentrations of AEG40730 resulted in the loss of both XIAP and c-IAP1 proteins, albeit with different kinetics.

Synonym: AEG40730 HCl; AEG40730 dihydrochloride; AEG40730; AEG-40730; AEG 40730;

IUPAC/Chemical Name: (2S,2'S)-N,N'-((2S,2'S,3R,3'R)-(hexa-2,4-diyne-1,6-diylbis(oxy))bis(1-oxo-1-((S)-2-((2,2,2-trifluoro-N-phenethylacetamido)methyl)pyrrolidin-1-yl)butane-3,2-diyl))bis(2-(methylamino)propanamide) dihydrochloride

InChi Key: CDGBXBVDDLOZGF-CLHBFWEXSA-N

InChi Code: InChI=1S/C52H68F6N8O8.2ClH/c1-35(59-5)45(67)61-43(47(69)65-27-17-23-41(65)33-63(49(71)51(53,54)55)29-25-39-19-11-9-12-20-39)37(3)73-31-15-7-8-16-32-74-38(4)44(62-46(68)36(2)60-6)48(70)66-28-18-24-42(66)34-64(50(72)52(56,57)58)30-26-40-21-13-10-14-22-40;;/h9-14,19-22,35-38,41-44,59-60H,17-18,23-34H2,1-6H3,(H,61,67)(H,62,68);2*1H/t35-,36-,37+,38+,41-,42-,43-,44-;;/m0../s1

SMILES Code: O=C(C(F)(F)F)N(CCC1=CC=CC=C1)C[C@H]2N(CCC2)C([C@@H](NC([C@@H](NC)C)=O)[C@@H](C)OCC#CC#CCO[C@@H]([C@H](NC([C@@H](NC)C)=O)C(N3[C@@H](CCC3)CN(C(C(F)(F)F)=O)CCC4=CC=CC=C4)=O)C)=O.[H]Cl.[H]Cl

Appearance: Solid powder