[(3-Chloro-phenyl)-(dimethoxy-phosphoryloxy)-methyl]-phosphonic acid dimethyl ester | 89187-51-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: [(3-Chloro-phenyl)-(dimethoxy-phosphoryloxy)-methyl]-phosphonic acid dimethyl ester
• 英文别名: [(3-Chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
• CAS: 89187-51-9
• 化学式: C₁₁H₁₇ClO₇P₂
• 分子量: 358.652
• InChiKey: SJRJRAFJFPRZFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-Oxo-(3-chlorphenyl)methanphosphonsaeuredimethylester 、 亚磷酸二甲酯 以46%的产率得到[(3-Chloro-phenyl)-(dimethoxy-phosphoryloxy)-methyl]-phosphonic acid dimethyl ester
  参考文献：
  名称：

  gem-Diphosphonate and gem-phosphonate-phosphate compounds with specific high density lipoprotein inducing activity

  摘要：

  New diphosphonate compounds and related derivatives were synthesized and investigated for their activity in specifically inducing plasma high density lipoproteins (HDL) and high density lipoprotein cholesterol (HDL-C) in normal rats. The screening of numerous compounds has permitted the determination of the structural variations leading to optimal plasma lipid altering activity, indicating antiatherosclerotic potential. Among the compounds observed to be the most active, dimethyl alpha-(dimethoxyphosphinyl)-p-chlorobenzyl phosphate (20, SR-202, mifobate) was selected for further pharmacological and subsequent clinical development.

  DOI：

  10.1021/jm00391a027

文献信息

• Neuartige synthetische Aspekte der Phosphonat-Phosphat-Umlagerung, 2. Mitt.: Synthese von Enolphosphaten aus 1-Oxoalkanphosphonaten und Schwefelyliden
  作者：Friedrich Hammerschmidt、Erich Zbiral

  DOI：10.1007/bf00909658

  日期：——
• NGUYEN, LAN M.;NIESOR, ERIC;BENTZEN, CRAIG L., J. MED. CHEM., 30,(1987) N 8, 1426-1433
  作者：NGUYEN, LAN M.、NIESOR, ERIC、BENTZEN, CRAIG L.

  DOI：——

  日期：——
• PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS
  申请人：Ilex Products, Inc.

  公开号：EP1485106A2

  公开（公告）日：2004-12-15
• Phosphonate-phosphate and diphosphonate apolipoprotein e modulators
  申请人：Niesor Eric Joseph

  公开号：US20060009423A1

  公开（公告）日：2006-01-12

  The present invention relates to methods of use of phosphonate-phosphates and diphosphonates to modulate apolipoprotein E levels and the use of such compounds in therapy, including cardiovascular and neurological disease states.
• [EN] PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS<br/>[FR] PHOSPHONATE-PHOSPHATE ET MODULATEURS D'APOLIPOPROTEINE E DIPHOSPHONATE
  申请人：ILEX PRODUCTS INC

  公开号：WO2003070179A2

  公开（公告）日：2003-08-28

  The present invention relates to methods of use of phosphonate-phosphates and diphosphonates to modulate apolipoprotein E levels and the use of such compounds in therapy, including cardiovascular and neurological disease states.