4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-cyanoethyl) ester 5-(3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propan-1-yl) ester | 404569-99-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-cyanoethyl) ester 5-(3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propan-1-yl) ester
• 英文别名: 5-O-(2-cyanoethyl) 3-O-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl] 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 404569-99-9
• 化学式: C₄₁H₄₀ClN₃O₄
• 分子量: 674.239
• InChiKey: NQENQFGDUFNHQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  91.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-cyanoethyl) ester 5-(3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propan-1-yl) ester 在 盐酸 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid mono (3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propan-1-yl) ester
  参考文献：
  名称：

  NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE

  摘要：

  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。

  公开号：

  EP1318147A1
• 作为产物：
  描述：

  acetoacetic acid 3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propyl ester 在 乙酸铵 作用下， 以 乙酸乙酯 、 异丙醇 为溶剂， 生成 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-cyanoethyl) ester 5-(3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propan-1-yl) ester
  参考文献：
  名称：

  NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE

  摘要：

  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。

  公开号：

  EP1318147A1

文献信息

• Pyrimidine derivatives and new pyridine derivatives
  申请人：AJINOMOTO CO., INC.

  公开号：US20040009991A1

  公开（公告）日：2004-01-15

  Achirai 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. 1

  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。
• 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。
• US7288544B2
  申请人：——

  公开号：US7288544B2

  公开（公告）日：2007-10-30