dimethyl 2,6-dimethyl-4-(2-ethenylphenyl)-1,4-dihydro-pyridine-3,5-dicarboxylate | 96689-65-5

• 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: dimethyl 2,6-dimethyl-4-(2-ethenylphenyl)-1,4-dihydro-pyridine-3,5-dicarboxylate
• 英文别名: dimethyl 2,6-dimethyl-4-(2-vinylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate；Dimethyl 2,6-dimethyl-4-(2-ethenylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate；dimethyl 4-(2-ethenylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 96689-65-5
• 化学式: C₁₉H₂₁NO₄
• 分子量: 327.38
• InChiKey: AHECURQDOTVXDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 2,6-dimethyl-4-(2-ethenylphenyl)-1,4-dihydro-pyridine-3,5-dicarboxylate 在 盐酸 作用下， 以 氯仿 、 水 为溶剂， 生成 Dimethyl 4,4a,9,9a-tetrahydro-1,3-dimethyl-3,9-methano-3H-indeno[2,1-c]pyridine-9a,10-dicarboxylate
  参考文献：
  名称：

  Bridged pyridine compounds useful as calcium channel blockers and

  摘要：

  揭示了作为钙通道阻滞剂和镇痛剂有用的新型取代和桥联吡啶化合物，其药物组成物以及治疗方法。

  公开号：

  US04587253A1
• 作为产物：
  描述：

  methyl (E)-3-aminocrotonate 生成 dimethyl 2,6-dimethyl-4-(2-ethenylphenyl)-1,4-dihydro-pyridine-3,5-dicarboxylate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• MINERALOCORTICOID RECEPTOR MODULATORS
  申请人：Brandish Philip E.

  公开号：US20100261765A1

  公开（公告）日：2010-10-14

  The present invention relates to dihydropyridine mineralocorticoid receptor modulating compounds having the structure: and their use in treating cardiovascular events.

  本发明涉及具有以下结构的二氢吡啶矿物质皮质激素受体调节化合物及其在治疗心血管事件中的应用。
• Iminium ion mediated cyclizations of 4-aryl-1,4-dihydropyridines. Bridging with olefins
  作者：George D. Hartman、Wasyl Halczenko、Brian T. Phillips

  DOI：10.1021/jo00214a005

  日期：1985.7
• 1,4-Dihydropyridine antagonist activities at the calcium channel: a quantitative structure-activity relationship approach
  作者：Robert A. Coburn、Mark Wierzba、Mark J. Suto、Alan J. Solo、A. M. Triggle、David J. Triggle

  DOI：10.1021/jm00119a009

  日期：1988.11

  The effect of 46 1,4-dihydropyridine-type calcium channel antagonists on the tonic contractile response of longitudinal muscle strips of guinea pig ileum was determined. 2,6-Dimethyl-3,5-dicarbomethoxy-4-phenyl-1,4-dihydropyridine (13) and 13 ortho-, 15 meta-, and seven para-monosubstituted and 10 polysubstituted aromatic derivatives of 13 were studied. The pharmacological activities of the monosubstituted derivatives were best correlated by eq 10, log 1/C = 0.68 pi + 2.50 sigma m -0.47Lmeta -3.40B1para + 11.31, which had a correlation coefficient of 0.89. The full data set was best correlated by eq 11, log 1/C = 0.62 pi + 1.96 sigma m -0.44Lmeta -3.26B1para -1.51Lmeta' + 14.23, which had a correlation coefficient of 0.90. Equations of similar form but involving an ortho steric term were found to correlate the radioligand binding data for this class of compounds.
• HARTMAN, G. D.;HALCZENKO, W.;PHILLIPS, B. T., J. ORG. CHEM., 1985, 50, N 14, 2427-2431
  作者：HARTMAN, G. D.、HALCZENKO, W.、PHILLIPS, B. T.

  DOI：——

  日期：——
• ——
  作者：HALCHENKO W.、 HARTMAN G. D.

  DOI：——

  日期：——