Name: Zaurategrast ethyl ester sulfate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214315231
Cas No:1214261-78-5
常用名:Zaurategrast ethyl ester sulfate
常用名:Zaurategrast ethyl ester sulfate
别名:UCB1184197 sulfate, CDP323 sulfate
IUPAC:bis(ethyl (2S)-2-({2-bromo-3-oxospiro[3.5]non-1-en-1-yl}amino)-3-{4-[(2,7-naphthyridin-1-yl)amino]phenyl}propanoate); sulfuric acid
IUPAC:bis(ethyl (2S)-2-({2-bromo-3-oxospiro[3.5]non-1-en-1-yl}amino)-3-{4-[(2,7-naphthyridin-1-yl)amino]phenyl}propanoate); sulfuric acid
InChI key:KGQSVXIJCXOYLB-VRCDMBAWSA-N

分子式:C56H60Br2N8O10S
分子量:1197.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OS(O)(=O)=O.CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1.CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:32,72|
SMILES:OS(O)(=O)=O.CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1.CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:32,72|

Zaurategrast ethyl ester sulfate is a α4β1/α4β7 integrin antagonist, and used for the treatment of inflammatory and autoimmune disorders.

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