Products 957135-43-2

CAS 957135-43-2 appears in our catalog under these names: Sm-164, 95%, SM-164/ 97.25% (existing batch purity), SM–164, SM-164, SM-164 98%. Offered by: Combi-blocks, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: 100mg, 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 200mg.

Structural formula: {0} (CAS {1})

SM-164 is a potent cell-permeable and bivalent Smac mimetic which binds to XIAP, cIAP-1 and cIAP-2 proteins (Ki = 0.56 nM, 0.31 nM and 1.1 nM, respectively). It induces apoptosis and tumor regression in cancer xenograft models. It has a role as a radiosensitizing agent, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a member of benzenes, an organic heterobicyclic compound and a member of triazoles.

Source: ChEBI

Identity
Molecular formulaC62H84N14O6
Molecular weight1121.4 g/mol
IUPAC name(3S,6S,10aS)-N-[(S)-[1-[4-[4-[4-[4-[(S)-[[(3S,6S,10aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]butyl]phenyl]butyl]triazol-4-yl]-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
InChIKeyLGYDZXNSSLRFJS-IOQQVAQYSA-N
SMILESC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)[C@H](C7=CC=CC=C7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H](CCCC9)NC(=O)[C@H](C)NC)NC

Computed by PubChem (NCBI)

Synonyms: orb1219686, orb1309086