CAS: 957135-43-2 | SM-164, >98%, NX71196
SKU: NX71196-1MG
Product Identifiers
| Catalog # | NX71196 |
| CAS Number | 957135-43-2 |
| PubChem CID | 17756618 |
| Chemical Name | SM-164 |
| 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 |
| InChI | InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1 |
| InChIKey | LGYDZXNSSLRFJS-IOQQVAQYSA-N |
| SMILES | CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(CCCCc5ccc(CCCCn6cc(nn6)[C@@H](NC(=O)[C@@H]7CC[C@@H]8CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N78)c9ccccc9)cc5)nn4 |
| MDL Number | MFCD28167763 |
Specification
| MW | 1121.4 |
| MF | C62H84N14O6 |
| Assay | >98% |
| Product Notes | SM-164 is a potent cell-permeable and bivalent Smac mimetic which bind to a XIAP protein with a Ki value of 0.56 nM, and binds to cIAP-1 and cIAP-2 proteins with Ki values of 0.31 and 1.1 nM, respectively. |
| Special Remarks | Keep Cold |
| Cat Number | BISN0032 |
| Manufacturer | Apollo Scientific |
| Country of Origin | United Kingdom |
