5-(3,3-diphenyl-2-propene-1-yl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | 215120-01-7

• 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: 5-(3,3-diphenyl-2-propene-1-yl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: 3-O-(2-cyanoethyl) 5-O-(3,3-diphenylprop-2-enyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 215120-01-7
• 化学式: C₃₃H₂₉ClN₂O₄
• 分子量: 553.057
• InChiKey: ONZQKTOBZIVIAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(3,3-diphenyl-2-propene-1-yl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 以25.6%的产率得到mono(3,3-diphenyl-2-propene-1-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Dihydropyridine derivative

  摘要：

  二氢吡啶衍生物具有以下结构式，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，如脑梗死发作后急性期内由缺血引起的脑病、脑出血或类似疾病、阿尔茨海默病等。

  公开号：

  US06350766B1
• 作为产物：
  描述：

  2-氰基乙酰乙酸乙酯 在 palladium on activated charcoal ammonium acetate 、 氢气 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 异丙醇 为溶剂， 生成 5-(3,3-diphenyl-2-propene-1-yl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Structure–activity relationship study of 1,4-dihydropyridine derivatives blocking N-type calcium channels

  摘要：

  Cilnidipine is a 1,4-dihydropyridine derived L/N-type calcium channel dual blocker possessing neuroprotective and analgesic effects which are related to its N-type calcium channel inhibitory activity. In order to find specific N-type calcium channel blockers with the least effects on cardiovascular system, we performed structure-activity relationship study on APJ2708, which is a derivative of cilnidipine, and found a promising N-type calcium channel blocker 21b possessing analgesic effect in vivo with a 1600-fold lower activity against L-type calcium channels than that of cilnidipine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.021

文献信息

• Dihydropyridine derivative
  申请人：Ajinomoto Co., Inc.

  公开号：US06350766B1

  公开（公告）日：2002-02-26

  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 such as encephalopathies caused by the ischemia in the acute phase after the onset of cerebral infarction, cerebral hemorrhage or the like, Alzheimer's disease, etc.

  二氢吡啶衍生物具有以下结构式，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，如脑梗死发作后急性期内由缺血引起的脑病、脑出血或类似疾病、阿尔茨海默病等。
• Novel dihydropyridine derivative
  申请人：AJINOMOTO CO., INC.

  公开号：US20020111494A1

  公开（公告）日：2002-08-15

  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 such as encephalopathies caused by the ischemia in the acute phase after the onset of cerebral infarction, cerebral hemorrhage or the like, Alzheimer's disease, etc. 1

  以下公式的二氢吡啶衍生物，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，例如在脑梗死、脑出血等急性期缺血引起的脑病、阿尔茨海默病等方面。
• NOVEL DIHYDROPYRIDINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP0985667A1

  公开（公告）日：2000-03-15

  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 such as encephalopathies caused by the ischemia in the acute phase after the onset of cerebral infarction, cerebral hemorrhage or the like, Alzheimer's disease, etc.

  下式的二氢吡啶衍生物、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，如脑梗塞、脑出血等发病后急性期缺血引起的脑病、阿尔茨海默病等。
• US6350766B1
  申请人：——

  公开号：US6350766B1

  公开（公告）日：2002-02-26
• US6995179B2
  申请人：——

  公开号：US6995179B2

  公开（公告）日：2006-02-07