dimethyl [1(dimethoxyphosphinyl) 2,2-dimethyl 2-phenyl]-ethyl phosphate | 76541-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl [1(dimethoxyphosphinyl) 2,2-dimethyl 2-phenyl]-ethyl phosphate
• 英文别名: Phosphoric acid, 1-(dimethoxyphosphinyl)-2-methyl-2-phenylpropyl dimethyl ester；(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate
• CAS: 76541-73-6
• 化学式: C₁₄H₂₄O₇P₂
• 分子量: 366.288
• InChiKey: YVOWYJDQJSPUTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  (2-Methyl-2-phenyl-propionyl)-phosphonic acid dimethyl ester 、 亚磷酸二甲酯 在 二乙胺 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以38%的产率得到dimethyl [1(dimethoxyphosphinyl) 2,2-dimethyl 2-phenyl]-ethyl phosphate
  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

• 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
• [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.
• gem-Diphosphonate and gem-phosphonate-phosphate compounds with specific high density lipoprotein inducing activity
  作者：Nguyen Lan Mong、Eric Niesor、Craig L. Bentzen

  DOI：10.1021/jm00391a027

  日期：1987.8

  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.