Anizyliden-bernsteinsaeure-dimethylester | 42151-36-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: Anizyliden-bernsteinsaeure-dimethylester
• 英文别名: Dimethyl 2-[(4-methoxyphenyl)methylidene]butanedioate；dimethyl 2-[(4-methoxyphenyl)methylidene]butanedioate
• CAS: 42151-36-0
• 化学式: C₁₄H₁₆O₅
• 分子量: 264.278
• InChiKey: UCFGXSHHEYZTGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Anizyliden-bernsteinsaeure-dimethylester 生成 2-[(4-methoxyphenyl)methyl]succinic acid dimethyl ester
  参考文献：
  名称：

  Factor VIIa inhibitors: Improved pharmacokinetic parameters

  摘要：

  Efforts to improve the potency and pharmacokinetic properties of small molecule factor VIIa inhibitors are described. Small structural modifications to existing leads allow the modulation of half-life and clearance, potentially making these compounds suitable candidates for drug development. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.037
• 作为产物：
  描述：

  4-碘苯甲醚 、 衣康酸二甲酯 生成 Anizyliden-bernsteinsaeure-dimethylester
  参考文献：
  名称：

  Factor VIIa inhibitors: Improved pharmacokinetic parameters

  摘要：

  Efforts to improve the potency and pharmacokinetic properties of small molecule factor VIIa inhibitors are described. Small structural modifications to existing leads allow the modulation of half-life and clearance, potentially making these compounds suitable candidates for drug development. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.037