Name: BMS-587101
Rating: 5 (10 reviews)

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HIT ID:HIT212715172
Cas No:509080-74-4;509083-77-6
常用名:BMS-587101
别名:UNII-5V7E4UQL93
IUPAC:5-{[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl}thiophene-3-carboxylic acid
IUPAC:5-{[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl}thiophene-3-carboxylic acid
InChI key:NXNKJLOEGWSJGI-BKMJKUGQSA-N

分子式:C26H20Cl2N4O4S
分子量:555.43
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:2.0937415358140425
SMILES:CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
SMILES:CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1

BMS-587101 is a small molecule antagonist of LFA-1, which can reduce inflammation and joint destruction in the mouse model of arthritis.

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