Name: CI-949
Rating: 5 (10 reviews)

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HIT ID:HIT212671796
Cas No:104961-19-5
常用名:CI-949
IUPAC:5-methoxy-1-phenyl-3-(propan-2-yloxy)-N-(1H-1,2,3,4-tetrazol-5-yl)-1H-indole-2-carboxamide
IUPAC:5-methoxy-1-phenyl-3-(propan-2-yloxy)-N-(1H-1,2,3,4-tetrazol-5-yl)-1H-indole-2-carboxamide
InChI key:JPTSIWRGXIZEOO-UHFFFAOYSA-N

分子式:C20H20N6O3
分子量:392.419
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.3636086
SMILES:COc1ccc2n(c(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1)-c1ccccc1
SMILES:COc1ccc2n(c(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1)-c1ccccc1

CI-949 is an allergic mediator release inhibitor, which inhibits leukotriene C4/D4 (LTC4/LTD4), histamine, and thromboxane B2 (TXB2) release (IC50s: 0.5 μM, 11.4 μM and 0.1 μM).

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