4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-ethyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester 2,3-dimethyl ester | 613671-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-ethyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester 2,3-dimethyl ester
• CAS: 613671-73-1
• 化学式: C₂₂H₂₃ClF₃NO₆
• 分子量: 489.876
• InChiKey: OBZXLBZTECXIRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  82.14
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-ethyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester 2,3-dimethyl ester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-ethyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester
  参考文献：
  名称：

  Glucose-lowering in a db/db mouse model by dihydropyridine diacid glycogen phosphorylase inhibitors

  摘要：

  The synthesis of a series of novel dihdyropyridine diacid glycogen phosphorylase inhibitors is presented. SAR and functional assay data are discussed, along with the effect of a single inhibitor on blood glucose in a diabetic animal model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00798-4
• 作为产物：
  描述：

  乙酰乙酸异丙酯 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 4-(2-Chloro-phenyl)-6-methyl-1-(2,2,2-trifluoro-ethyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester 2,3-dimethyl ester
  参考文献：
  名称：

  Glucose-lowering in a db/db mouse model by dihydropyridine diacid glycogen phosphorylase inhibitors

  摘要：

  The synthesis of a series of novel dihdyropyridine diacid glycogen phosphorylase inhibitors is presented. SAR and functional assay data are discussed, along with the effect of a single inhibitor on blood glucose in a diabetic animal model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00798-4