Name: AZD5582 dihydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT214321022
Cas No:1883545-51-4
常用名:AZD5582 dihydrochloride
别名:AZD 5582 dihydrochloride
IUPAC:(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1S,2R)-2-[(6-{[(1S,2R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]pyrrolidine-2-amido]-2,3-dihydro-1H-inden-2-yl]oxy}hexa-2,4-diyn-1-yl)oxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide dihydrochloride
IUPAC:(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1S,2R)-2-[(6-{[(1S,2R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]pyrrolidine-2-amido]-2,3-dihydro-1H-inden-2-yl]oxy}hexa-2,4-diyn-1-yl)oxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide dihydrochloride
InChI key:DAILKFFMJFAUCE-GXSVUDMFSA-N

分子式:C58H80Cl2N8O8
分子量:1088.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.Cl.CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1
SMILES:Cl.Cl.CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1

Dimeric Smac mimetic; potent inhibitor of X-linked (XIAP) and cellular (cIAP) inhibitor of apoptosis protein (IC50 values are 15, 15 and 21 nM for XIAP, cIAP1 and cIAP2 respectively). Binds to the BIR3 domain of XIAP to prevent interaction with caspase-9. Causes degradation of cIAP1 and cIAP2 and induces apoptosis in MDA-MB-231 breast cancer cells. Causes tumor regression in MDA-MB-231 xenograft-bearing mice.

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