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113852-37-2 分子结构
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({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid

ChemBase编号:253
分子式:C8H14N3O6P
平均质量:279.187021
单一同位素质量:279.06202181
SMILES和InChIs

SMILES:
P(=O)(O)(O)CO[C@@H](Cn1ccc(nc1=O)N)CO
Canonical SMILES:
OC[C@H](Cn1ccc(nc1=O)N)OCP(=O)(O)O
InChI:
InChI=1S/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-/m0/s1
InChIKey:
VWFCHDSQECPREK-LURJTMIESA-N

引用这个纪录

CBID:253 http://www.chembase.cn/molecule-253.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
IUPAC传统名
cidofovir
商标名
HPMPC
Vistide
别名
CDV
Cidofovir Anhydrous
Cidofovir
Vistide
[[(1S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic Acid Hydrate
1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]cytosine Hydrate
(S)-[[2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic Acid Hydrate
(S)-1-(3-hydroxy-2-phosphonomethoxypropyl)cytosine Hydrate
(S)-HPMPC Hydrate
Cidovir Hydrate
GS 0504 Hydrate
Vistide Hydrate
Cidofovir Hydrate
CAS号
113852-37-2
PubChem SID
160963716
46506054
PubChem CID
60613

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 1.0463051  质子受体
质子供体 LogD (pH = 5.5) -4.5788546 
LogD (pH = 7.4) -4.7014484  Log P -2.9908068 
摩尔折射率 60.4279 cm3 极化性 23.452892 Å3
极化表面积 145.68 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -2.12  LOG S -1.38 
溶解度 1.15e+01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
=170 mg/mL at pH 6-8 expand 查看数据来源
DMSO (Sparingly) expand 查看数据来源
Water (Sparingly) expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
256-260°C (dec.) expand 查看数据来源
疏水性(logP)
-3.9 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
Refrigerator expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals TRC TRC
DrugBank -  DB00369 external link
Item Information
Drug Groups approved
Description Cidofovir is an injectable antiviral medication for the treatment of cytomegalovirus (CMV) retinitis in patients with AIDS. It suppresses CMV replication by selective inhibition of viral DNA synthesis. [Wikipedia]
Indication For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS)
Pharmacology Cidofovir is a new anti-viral drug. It is classified as a nucleotide analogue and is active against herpes cytomegalovirus (CMV) retinitis infection. Most adults are infected with CMV. Cidofovir suppresses cytomegalovirus (CMV) replication by selective inhibition of viral DNA synthesis.
Toxicity Kidney damage, fall in the number of white blood cells, decreased platelets
Affected Organisms
Human Immunodeficiency Virus
Absorption 100%
Half Life 2.4 to 3.2 hours
Protein Binding 6%
Distribution * 537 ± 126 mL/kg [VISTIDE ADMINISTERED WITHOUT PROBENECID]
* 410 ± 102 mL/kg [VISTIDE ADMINISTERED WITH PROBENECID]
Clearance * 179 +/- 23.1 mL/min/1.73 m2 [WITHOUT PROBENECID]
* 148 +/- 38.8 mL/min/1.73 m2 [WITH PROBENECID]
External Links
Wikipedia
RxList
Drugs.com
Selleck Chemicals -  S1516 external link
Research Area: Infection
Biological Activity:
Cidofovir(Vistide) is an injectable antiviral medication for the treatment of cytomegalovirus (CMV) retinitis. (IC50= 0.94 μM) [1][2] A wild type HCMV laboratory strain (AD 169) and 3 ganciclovir-resistant clinical isolates(generated as a result of Ganciclovir therapy) that are cross-resistant to cidofovir were also included in the cidofovir susceptibility assays. AD 169 showed a cidofovir IC50 value of 0.6 pM, and the ganciclovir- resistant isolates showed cidofovir IC50 values ranging from 2.3 to 16 pM. [3]
Toronto Research Chemicals -  C433500 external link
An injectable antiviral medication for the treatment of cytomegalovirus (CMV) retinitis in patients with AIDS. It suppresses CMV replication by selective inhibition of viral DNA polymerase and therefore prevention of viral replication and transcription. I

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • http://en.wikipedia.org/wiki/Cidofovir
  • Rahal, F.M. et al.: Ann. Internal Med., 125, 98 (1996)
  • Johnson, J.A. et al.: Antimicrob. Agents Chemother., 43, 1190 (1996)
  • Ho, H.T. et al.: Mol. Pharmacol., 41, 197 (1996)
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专利

专利

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