175865-60-8 (缬更昔洛韦,(2S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl 2-amino-3-methylbutanoate)

CAS号:
175865-60-8
中文名称:
缬更昔洛韦
英文名称:
(2S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl 2-amino-3-methylbutanoate
分子式:
C14H22N6O5
分子量:
354.361682415009
简介:
缬更昔洛韦为合成的2-脱氧鸟苷类似物,是抗病毒药更昔洛韦(ganciclovir)的前体药物,可大大减少更昔洛韦的毒性。它的药效学特点与更昔洛韦相同。

缬更昔洛韦(175865-60-8)名称与标识符

名称

中文别名:
缬更昔洛韦;(S)-2-氨基-3-甲基丁酸 (R,S)-2-[(2-氨基-6-氧代-1,6-二氢-9H-嘌呤-9-基)甲氧基]-3-羟基丙酯;1-苯基-5-三氟甲基吡唑-4-酰氯;缬-D5盐酸(diastetromers混合物);缬-D8(非对映体混合物);缬更昔洛韦盐酸;盐酸缬更昔洛韦-D5;
英文别名:
(2S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl 2-amino-3-methylbutanoate;Valgancyclovir;5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7- dihydro-3H-imidazo[4,5-d]pyrimidin-7-one;Valganciclovir;L-Valine;Valganciclovir-d8;Valganciclovir-d8 (Mixture of Diastereomers);Valganciclovir & Valganciclovir Hydrochloride;Valganciclovir-d5 HCl (Mixture of diastetroMers);2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate;5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one;L-Valine, 2-((2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-3-hydroxypropyl ester;NCGC00387997-04;NS00000462;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate;AKOS015966553;Cymeval;HSDB 8085;GTPL4716;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate;valganciclovirum;L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester;2-((2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl L-valinate;Valganciclovir [INN:BAN];J05AB14;SCHEMBL28996;NCGC00387997-02;BRD-A50922295-003-01-9;RS 79070;ganciclovir L-valyl ester;Valganciclovir (INN);L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-3-hydroxypropyl ester;AM807983;DTXCID3028263;HY-A0032;Ro-1079070/194;CHEBI:63635;L-Valine, ester with ganciclovir;SCHEMBL12672612;GCU97FKN3R;AKOS015896083;AB01563009_01;Q423384;SCHEMBL22357189;175865-60-8;CS-0950;DTXSID8048288;EN300-37158611;L-VALINE, ESTER WITH 9-((2-HYDROXY-1-(HYDROXYMETHYL)ETHOXY)METHYL)GUANINE;DB01610;2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate;CHEMBL1201314;RO1079070/194;D02495;Ganciclovir L valyl Ester;NCGC00168779-01;UNII-GCU97FKN3R;VALGANCICLOVIR [WHO-DD];BRD-A50922295-003-05-0;BRD-A50922295-001-01-3;2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate hydrochloride;VALGANCICLOVIR [MI];2-[(2-AMINO-6-OXO-1H-PURIN-9-YL)METHOXY]-3-HYDROXYPROPYL (2S)-2-AMINO-3-METHYLBUTANOATE;VALGANCICLOVIR [INN];VALGANCICLOVIR [VANDF];DA-58945;

标识符

MDL:
MFCD08460118
InChIKey:
WPVFJKSGQUFQAP-GKAPJAKFSA-N
Inchi:
1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
SMILES:
O(CN1C=NC2C(NC(N)=NC1=2)=O)C(CO)COC([C@H](C(C)C)N)=O

缬更昔洛韦(175865-60-8)物化性质

实验特性

  • LogP : -0.15520
  • PSA : 171.37000
  • 折射率 : 1.677
  • 沸点 : 629.1°C at 760 mmHg
  • 闪点 : 334.3°C
  • 密度 : 5.2X10-18 mm Hg at 25 deg C (est)

计算特性

  • 精确分子量 : 354.16500
  • 氢键供体数量 : 5
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 9
  • 同位素质量 : 354.165
  • 重原子数量 : 25
  • 复杂度 : 528
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : _0.6
  • 拓扑分子极性表面积 : 167A^2

缬更昔洛韦(175865-60-8)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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