Name: Sch412348
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670359
Cas No:377727-26-9
常用名:Sch412348
IUPAC:10-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-4-(furan-2-yl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
IUPAC:10-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-4-(furan-2-yl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
InChI key:JZAMQDDHRXHDFR-UHFFFAOYSA-N

分子式:C22H21F2N9O
分子量:465.469
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:3.3303466
SMILES:Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nc(nn12)-c1ccco1
SMILES:Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nc(nn12)-c1ccco1

Sch412348 is a potent competitive the human adenosine A2A receptor antagonist with Ki of 0.6 nM and has >1000-fold selectivity over all other adenosine receptors.

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