Name: TMC647055 Choline Hydroxide Salt
Rating: 5 (10 reviews)

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HIT ID:HIT214432271
Cas No:
常用名:TMC647055 Choline Hydroxide Salt
常用名:TMC647055 Choline Hydroxide Salt
别名:TMC647055 Choline Hydroxide Salt (1204416-97-6 free base)
别名:TMC647055 Choline Hydroxide Salt (1204416-97-6 free base)
IUPAC:(2-hydroxyethyl)trimethylazanium (7Z)-28-cyclohexyl-7-hydroxy-22-methoxy-10,16-dimethyl-13-oxa-9lambda6-thia-1,8,10,16-tetraazapentacyclo[16.8.1.1^{2,6}.1^{3,26}.0^{20,25}]nonacosa-2(29),3,5,7,18,20(25),21,23,26(28)-nonaene-9,9,17-trione hydroxide
IUPAC:(2-hydroxyethyl)trimethylazanium (7Z)-28-cyclohexyl-7-hydroxy-22-methoxy-10,16-dimethyl-13-oxa-9lambda6-thia-1,8,10,16-tetraazapentacyclo[16.8.1.1^{2,6}.1^{3,26}.0^{20,25}]nonacosa-2(29),3,5,7,18,20(25),21,23,26(28)-nonaene-9,9,17-trione hydroxide
InChI key:PHHZAIOGANLKJD-UHFFFAOYSA-M

分子式:C37H53N5O8S
分子量:727.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[OH-].C[N+](C)(C)CCO.COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)\N=C5/O
SMILES:[OH-].C[N+](C)(C)CCO.COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)\N=C5/O

TMC647055 Choline Hydroxide Salt 是一种新型有效的 HCV NS5B 聚合酶非核苷抑制剂，可用于治疗 HCV 感染。它具有纳摩尔级细胞效力（EC(50) 为 82 nM），相关细胞毒性较小（CC(50)>20 μM），在大鼠和狗中具有良好的药代动力学特征。 TMC647055 显示出有体外生化、动力学和病毒学特征的前景。

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