SM-433 hydrochloride

For research use only. Not for therapeutic Use.

  • CAT Number: I044648
  • Molecular Formula: C32H44ClN5O4
  • Molecular Weight: 598.18
  • Purity: ≥95%
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SM-433 hydrochloride(Cat No.:I044648)is a potent Smac-mimetic compound that antagonizes inhibitor of apoptosis proteins (IAPs), particularly XIAP, by disrupting their interaction with caspases. This leads to the activation of apoptotic pathways in cancer cells. With an IC₅₀ below 1 µM for XIAP-BIR3 binding, it shows strong in vitro cytotoxicity in tumor cell lines like MDA-MB-231 and SK-OV-3. Supplied as a hydrochloride salt, SM-433 is soluble in DMSO and water, with a molecular weight of 598.18 g/mol. It is widely used in apoptosis research and in developing novel anticancer strategies.


Synonyms

(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;hydrochloride

Molecular Formula C32H44ClN5O4
Purity ≥95%
IUPAC Name (5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;hydrochloride
InChI InChI=1S/C32H43N5O4.ClH/c1-21(2)18-29(38)36-17-16-25-14-15-28(37(25)32(41)27(20-36)35-30(39)22(3)33-4)31(40)34-19-24-12-8-9-13-26(24)23-10-6-5-7-11-23;/h5-13,21-22,25,27-28,33H,14-20H2,1-4H3,(H,34,40)(H,35,39);1H/t22-,25+,27-,28-;/m0./s1
InChIKey TUHQZVIWMJUHRN-PYNMGOALSA-N
SMILES C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C(=O)CC(C)C)NC.Cl
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