CAS: 149394-66-1; (S)-(((1-(4-Amino-2-Oxopyrimidin-1(2H)-yl)-3-Hydroxypropan-2-yl)Oxy)Methyl)Phosphonic Acid Dihydrate

该化合物是在制药应用中.氢甲基氢和乙氧基磺酸组的存在增强了其溶性及其与生物系统的相互作用.作为水合体,含有水分子,可影响其结构的稳定性和再活性.该化合物有可能表现出磷酸的典型特性,例如与金属离子的切热作用以及可能用作除草剂或医药化学.其具体的立体化学化学化学学学显示,其特定的立体化学活动可能基于其三维安排而具有独特的生物活动.总体,该化合物独特的结构和功能组在各种化学领域中引起兴趣.

英文名称(S)-(((1-(4-Amino-2-Oxopyrimidin-1(2H)-yl)-3-Hydroxypropan-2-yl)Oxy)Methyl)Phosphonic Acid Dihydrate
中文名称西多福韦二水合物
IUPAC名称(S)-(((1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic acid dihydrate
其它别名Cidofovir Hydrate; Phosphonic Acid, ((2-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-1-(Hydroxymethyl)Ethoxy)Methyl)-, Dihydrate, (S)-; (S)-[1-(4-Amino-2-Oxo-Pyrimidin-1(2H)-yl)-3-Hydroxy-Propan-2-Yl]Oxymethylphosphonic Acid Dihydrate; Cidofovir Hydrate (1:2); P-[[(1S)-2-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-1-(Hydroxymethyl)Ethoxy]Methyl]Phosphonic Acid Hydrate (1:2)
CAS编号149394-66-1
MFCD编号:MFCD16556167
EINECS号:814-987-8
FDA UNII编号:JIL713Q00N
分子式:C8H18N3O8P
分子量:315.22
产品CID: 720022
同类组份化合物CAS149394-66-1 (hydrate)127749-27-3 (sodium)113852-37-2 (free base)
产品分类原料药 → 人工合成抗感染类药 → 抗病毒类药

相似结构搜索
InChIKey: FPKARFMSZDBYQF-ILKKLZGPSA-N
InChI=1/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/s3…
计算化学: 氢键受体数8.0氢键供体数6.0可旋转键数6.0

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别3(经口)
皮肤腐蚀/刺激类别2
致癌性类别2
致突变性类别2
生殖毒性类别2
STOT SE 2
警示词Danger(危险)
危险描述H301 |吞咽会中毒.
H315 |造成皮肤刺激.
H351 |怀疑致癌.
H341 |怀疑导致遗传缺陷.
H361 |怀疑对生育能力或胎儿造成损害.
H371 |可能损害器官.
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

欧盟法规

C&L通报

合成工艺路线路线简述

海关参考信息

2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
2909199090-其他醚及其衍生物
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-10736911-B2
优先权日:2015-12-29
标题 :Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage
发明人：DEANS RICHARD; OKESLI AYSE; MORGENS DAVID; KHOSLA CHAITAN; BASSIK MICHAEL C
权利人:UNIV LELAND STANFORD JUNIOR
摘要:Compounds and methods are provided for the treatment of pathogenic virus infections or cancer. The formulations combine an inhibitor of de novo pyrimidine synthesis, and an inhibitor of a pyrimidine salvage pathway enzyme.

其他信息查阅

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主要参考文献

1: Ganapathi L, Arnold A, Jones S, Patterson A, Graham D, Harper M, Levy O. Use of cidofovir in pediatric patients with adenovirus infection. F1000Res. 2016 Apr 26;5:758. doi: 10.12688/f1000research.8374.1. eCollection 2016.
2: Epstein JB, Gharapetian S, Rejali AR, Zabner R, Lill M, Tzachanis D. Complex management of resistant oral herpes simplex virus infection following hematopoietic stem cell transplantation: potential role of topical cidofovir. Support Care Cancer. 2016 May 10. [Epub ahead of print] doi: 10.1016/j.virusres.2016.04.002. [Epub ahead of print] doi: 10.1016/j.jdcr.2015.09.019. eCollection 2015 Nov.
5: Deutsch E, Haie-Meder C, Bayar MA, Mondini M, Laporte M, Mazeron R, Adam J, Varga A, Vassal G, Magné N, Chargari C, Lanoy E, Pautier P, Levy A, Soria JC. Phase I trial evaluating the antiviral agent Cidofovir in combination with chemoradiation in cervical cancer patients. Oncotarget. 2016 Mar 21. doi: 10.18632/oncotarget.8224. [Epub ahead of print] doi: 10.1016/j.jns.2016.02.011. Epub 2016 Feb 6. doi: 10.1155/2016/4560745. Epub 2016 Jan 13.

合成参考文献

参考文献:10.1016/j.bmc.2011.06.045
摘要:Hocková D, Holý A, Andrei G, Snoeck R, Balzarini J. Acyclic nucleoside phosphonates with a branched 2-(2-phosphonoethoxy)ethyl chain: Efficient synthesis and antiviral activity. Bioorganic & Medicinal Chemistry. 2011 Aug;19(15):4445–53. doi: 10.1016/j.bmc.2011.06.045.
参考文献:10.1208/s12249-011-9661-7
摘要:Badıllı U, Sen T, Tarımcı N. Microparticulate based topical delivery system of clobetasol propionate. AAPS PharmSciTech. 2011 Sep;12(3):949–57.
参考文献:10.1007/978-1-61779-163-5_22
摘要:Kohler JJ, Hosseini SH. Subcellular renal proximal tubular mitochondrial toxicity with tenofovir treatment. Methods Mol Biol. 2011;755():267–77. doi: 10.1007/978-1-61779-163-5_22.