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

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HIT ID:HIT212057356
Cas No:455264-30-9
常用名:Zaurategrast ethyl ester
别名:UCB1184197, CDP323
IUPAC: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
IUPAC: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
InChI key:QCYAXXZCQKMTMO-QFIPXVFZSA-N

分子式:C28H29BrN4O3
分子量:549.469
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:5.038365
SMILES:CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:28|
SMILES:CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:28|

Zaurategrast ethyl ester is the ethyl ester prodrug of CT7758 and is an α4β1/α4β7 integrin antagonist. It is used for the treatment of inflammatory and autoimmune disorders.

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