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 | 404570-00-9

• 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 mono (3-(4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)piperidine-1-yl)propan-1-yl) ester
• 英文别名: 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；4-(3-chlorophenyl)-2,6-dimethyl-5-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid
• CAS: 404570-00-9
• 化学式: C₃₈H₃₇ClN₂O₄
• 分子量: 621.176
• InChiKey: PXTMYVYDZMNERJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  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 在 cerium(IV)diammonium nitrate 作用下， 以 水 、 丙酮 为溶剂， 反应 2.0h， 以100%的产率得到4-(3-chlorophenyl)-5-(3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propoxy) carbonyl-2,6-dimethylnicotinic 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 3-(2-cyanoethyl) ester 5-(3-(4-(5H-dibenzo[a,d] cyclohepten-5-ylidene) piperidine-1-yl) propan-1-yl) ester 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 5.0h， 以90%的产率得到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：

  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

文献信息

• 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。
• 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。