mono(3-phenyl-2-propene-1-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

• 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: mono(3-phenyl-2-propene-1-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: 4-(3-chlorophenyl)-2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
• 化学式: C₂₄H₂₂ClNO₄
• 分子量: 423.896
• InChiKey: UPMLTVQZAYNSSM-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  mono(3-phenyl-2-propene-1-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 、 N-(3-氨丙基)吗啉 以92.4%的产率得到(3-phenyl-2-propene-1-yl) 4-(3-chlorophenyl)-2,6-dimethyl-5-[3-(morpholine-4-yl)propylcarbamoyl]-1,4-dihydropyridine-3-carboxylate
  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
• 作为产物：
  描述：

  5-(3-phenyl-2-propene-1-yl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 13.0h， 以63%的产率得到mono(3-phenyl-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

文献信息

• 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。
• Structure–activity relationship study of 1,4-dihydropyridine derivatives blocking N-type calcium channels
  作者：Takashi Yamamoto、Seiji Niwa、Seiji Ohno、Tomoyuki Onishi、Hiroyuki Matsueda、Hajime Koganei、Hisayuki Uneyama、Shin-ichi Fujita、Tomoko Takeda、Morikazu Kito、Yukitsugu Ono、Yuki Saitou、Akira Takahara、Seinosuke Iwata、Masataka Shoji

  DOI：10.1016/j.bmcl.2005.11.021

  日期：2006.2

  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.
• US6350766B1
  申请人：——

  公开号：US6350766B1

  公开（公告）日：2002-02-26
• US6350762B1
  申请人：——

  公开号：US6350762B1

  公开（公告）日：2002-02-26