4-(3-chlorophenyl)-2,6-dimethyl-5-(3,3-diphenylpropylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid | 228562-15-0

• 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: 4-(3-chlorophenyl)-2,6-dimethyl-5-(3,3-diphenylpropylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid
• 英文别名: 4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
• CAS: 228562-15-0
• 化学式: C₃₀H₂₉ClN₂O₃
• 分子量: 501.025
• InChiKey: FSTKTOMSYMIFJE-UHFFFAOYSA-N

物化性质

• 沸点：
  713.9±60.0 °C(Predicted)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(3-chlorophenyl)-2,6-dimethyl-5-(3,3-diphenylpropylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid 在 cerium(IV)diammonium nitrate 作用下， 以 水 、 丙酮 为溶剂， 反应 2.5h， 以88%的产率得到4-(3-chlorophenyl)-5-(3,3-diphenylpropyl) carbamoyl-2,6-dimethylcarboxylic acid
  参考文献：
  名称：

  Pyrimidine derivatives and new pyridine derivatives

  摘要：

  Achirai嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。

  公开号：

  US20040009991A1
• 作为产物：
  描述：

  4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid mono (2-cyanoethyl) ester 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-(3-chlorophenyl)-2,6-dimethyl-5-(3,3-diphenylpropylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid
  参考文献：
  名称：

  Dihydropyridine derivative

  摘要：

  以下化学式的二氢吡啶衍生物及其类似物和药学上可接受的盐具有选择性抑制N型钙通道作用的活性。它们被用作治疗与N型钙通道相关的各种疾病的药物。

  公开号：

  US06350762B1

文献信息

• NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1318147A1

  公开（公告）日：2003-06-11

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  非手性嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并且当口服时表现出镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。
• NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES
  申请人：OHNO Seiji

  公开号：US20080070903A1

  公开（公告）日：2008-03-20

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  以下式子或其类似物的非手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并且口服时表现出镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。
• Pyrimidine compounds useful as N-type calcium channel antagonists
  申请人：Ajinomoto Co., Inc.

  公开号：US07288544B2

  公开（公告）日：2007-10-30

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels

  以下式子或其类似物的无手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并且口服时表现出镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。
• Pyridine compounds useful as N-type calcium channel antagonists
  申请人：Ajinomoto Co., Inc.

  公开号：US07494989B2

  公开（公告）日：2009-02-24

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  以下公式或其类似物的无手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。
• NOVEL DIHYDROPYRIDINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1043314A1

  公开（公告）日：2000-10-11

  Dihydropyridine derivatives of the following formula, analogs thereof and pharmaceutically acceptable salts thereof have an activity of selectively inhibiting the action of N-type calcium channel. They are used as remedies for various diseases relating to the N-type calcium channel.

  下式中的二氢吡啶衍生物、其类似物及其药学上可接受的盐类具有选择性抑制 N 型钙通道作用的活性。它们可用于治疗与 N 型钙通道有关的各种疾病。