3,5-吡啶二羧酸,1,4-二氢-2,6-二甲基-4-[2-(甲硫基)苯基]-,二乙基酯 | 101340-18-5

• 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
• 中文名称: 3,5-吡啶二羧酸,1,4-二氢-2,6-二甲基-4-[2-(甲硫基)苯基]-,二乙基酯
• 英文名称: diethyl 2,6-dimethyl-4-<2-(methylthio)phenyl>-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: diethyl-2,6-dimethyl-4-(2-methylthiophenyl)-1,4-dihydropyridine-3,5-dicarboxylate；diethyl 2,6-dimethyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 101340-18-5
• 化学式: C₂₀H₂₅NO₄S
• 分子量: 375.489
• InChiKey: XFQQDSBPVOHQAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,5-吡啶二羧酸,1,4-二氢-2,6-二甲基-4-[2-(甲硫基)苯基]-,二乙基酯 生成 diethyl 2,6-dimethyl-4-<2-(methylsulfinyl)phenyl>-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Substituted and bridged pyridines useful as pharmaceutical agents

  摘要：

  公开号：

  EP0163238B1

文献信息

• Substituted and bridged tetrahydropyridines useful as calcium entry
  申请人：Merck & Co., Inc.

  公开号：US04579851A1

  公开（公告）日：1986-04-01

  Substituted dihydropyridines and substituted and bridged tetrahydropyridines are disclosed which are useful as calcium entry blockers.

  本发明揭示了用作钙通道阻滞剂的取代二氢吡啶和取代和桥联四氢吡啶。
• Substituted and bridged pyridines useful as pharmaceutical agents
  申请人：Merck & Co., Inc.

  公开号：EP0163238B1

  公开（公告）日：1991-07-24
• BALDWIN J. J.; CLAREMON D. A.; LUMMA P. K.; MCCLURE D. E.; ROSENTHAL S. A+, J. MED. CHEM., 30,(1987) N 4, 690-695
  作者：BALDWIN J. J.、 CLAREMON D. A.、 LUMMA P. K.、 MCCLURE D. E.、 ROSENTHAL S. A+

  DOI：——

  日期：——
• US4579851A
  申请人：——

  公开号：US4579851A

  公开（公告）日：1986-04-01
• Diethyl 3,6-dihydro-2,4-dimethyl-2,6-methano-1,3-benzothiazocine-5,11-dicarboxylates as calcium entry antagonists: new conformationally restrained analogs of Hantzsch 1,4-dihydropyridines related to nitrendipine as probes for receptor-site conformation
  作者：John J. Baldwin、David A. Claremon、Patricia K. Lumma、David E. McClure、Seth A. Rosenthal、Raymond J. Winquist、Elizabeth P. Faison、Gregory J. Kaczorowski、Mayme J. Trumble、Graham M. Smith

  DOI：10.1021/jm00387a019

  日期：1987.4

  The pharmacological activity of rigid analogues of 1,4-dihydropyridine calcium entry antagonists 9-16 is demonstrated by dose-dependent inhibition of the calcium contraction in depolarized rat aortic strips and by a [3H]nitrendipine binding assay in using cardiac sarcolemmal membranes. From the results, a model is proposed as the receptor-bound conformation of the dihydropyridine calcium entry antagonists.