Name: Inupadenant HCl
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218852196
Cas No:2411004-22-1
常用名:Inupadenant HCl
IUPAC:7-amino-10-(2-{4-[2,4-difluoro-5-(2-methanesulfinylethoxy)phenyl]piperazin-1-yl}ethyl)-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7-tetraen-11-one hydrochloride
IUPAC:7-amino-10-(2-{4-[2,4-difluoro-5-(2-methanesulfinylethoxy)phenyl]piperazin-1-yl}ethyl)-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7-tetraen-11-one hydrochloride
InChI key:DDVRGKDOXQCEQN-UHFFFAOYSA-N

分子式:C25H27ClF2N8O4S2
分子量:641.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CS(=O)CCOc1cc(N2CCN(CCn3c4nc(N)n5nc(nc5c4sc3=O)-c3ccco3)CC2)c(F)cc1F
SMILES:Cl.CS(=O)CCOc1cc(N2CCN(CCn3c4nc(N)n5nc(nc5c4sc3=O)-c3ccco3)CC2)c(F)cc1F

Inupadenant, also known as EOS-850, is a highly selective small molecule antagonist of the adenosine A2a receptor, in the adenosine triphosphate adenosine pathway, a key driver of immunosuppression in the tumor microenvironment across a broad range of tumors.

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