Name: QWF
Rating: 5 (10 reviews)

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HIT ID:HIT218852020
Cas No:126088-82-2
常用名:QWF
IUPAC:benzyl (2S)-2-[(2R)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanamido]-3-(1-formyl-1H-indol-3-yl)propanamido]-3-phenylpropanoate
IUPAC:benzyl (2S)-2-[(2R)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanamido]-3-(1-formyl-1H-indol-3-yl)propanamido]-3-phenylpropanoate
InChI key:ZFZOHFAASQHWER-YPKYBTACSA-N

分子式:C38H43N5O8
分子量:697.789
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
SMILES:CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

Tripeptide substance P (SP) antagonist (IC50 = 90 μM). Also inhibits binding of SP to Mas-related GPCR (MRGPR) X2. Inhibits SP-induced IgE-independent degranulation of mast cells in vitro. Inhibits compound 48/80-induced MRGPRX2 activation and scratching in mice in vivo.

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