3-(N-benzyl-N-methylamino)-2,2-dimethylpropyl methyl 2,6-dimethyl-4-(2-chloro-3-nitrophenyl)-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: 3-(N-benzyl-N-methylamino)-2,2-dimethylpropyl methyl 2,6-dimethyl-4-(2-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: 5-O-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] 3-O-methyl 4-(2-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 化学式: C₂₉H₃₄ClN₃O₆
• 分子量: 556.058
• InChiKey: YSRVJMWWBUNEQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  methyl (E)-3-aminocrotonate 生成 3-(N-benzyl-N-methylamino)-2,2-dimethylpropyl methyl 2,6-dimethyl-4-(2-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  YAMAGUCHI, HISAO;KANNO, HIDEO;OKAMIYA, YOSHIAKI;SUNAKAWA, KIYOTAKA

  摘要：

  DOI：

文献信息

• Certain aralkylaminoalkyl esters of 1,4 dihydropyridines as
  申请人：Teijin Limited

  公开号：US04578395A1

  公开（公告）日：1986-03-25

  A 1,4-dihydropyridine derivative of the formula ##STR1## wherein R.sup.1 and R.sup.2 are identical or different and each represents a hydrogen atom, a halogen atom or a nitro group, provided that R.sup.1 and R.sup.2 are not hydrogen atoms at the same time; R.sup.3 represents an alkyl group; R.sup.4 represents an aralkyl group which may be substituted; R.sup.5 and R.sup.7 are indentical or different and each represents an alkyl group; R.sup.6 represents a hydrogen atom or an alkyl group; R.sup.8 represents an alkyl group; R.sup.9 represents a hydrogen atom or an alkyl group; n and m are identical or different and each represents an integer of 0 to 6; provided that when either one of R.sup.1 and R.sup.2 is a hydrogen atom, R.sup.9 is an alkyl group; or an acid addition salt thereof. The 1,4-dihydropyridine derivative is characterized by a strong antihypertensive activity and the long duration of the activity.

  一种1,4-二氢吡啶衍生物的化学式为##STR1##其中R.sup.1和R.sup.2相同或不同，分别代表氢原子、卤素原子或硝基基团，但R.sup.1和R.sup.2不能同时为氢原子；R.sup.3代表烷基基团；R.sup.4代表可能被取代的芳基烷基基团；R.sup.5和R.sup.7相同或不同，分别代表烷基基团；R.sup.6代表氢原子或烷基基团；R.sup.8代表烷基基团；R.sup.9代表氢原子或烷基基团；n和m相同或不同，分别代表0至6的整数；但当R.sup.1和R.sup.2中的任何一个是氢原子时，R.sup.9为烷基基团；或其酸盐。这种1,4-二氢吡啶衍生物具有强烈的降压活性和持续时间长的特点。
• 1,4-Dihydropyridine derivative, process for production thereof and pharmaceutical use thereof
  申请人：TEIJIN LIMITED

  公开号：EP0128010A2

  公开（公告）日：1984-12-12

  A 1,4-dihydropyridine derivative of the formula wherein R1 and R2 are identical or different and each represents a hydrogen atom, a halogen atom or a nitro group, provided that R1 and R2 are not hydrogen atoms at the same time; R3 represents an alkyl group; R4 represents an aralkyl group which may be substituted; R5 and R7 are identical or different and each represents an alkyl group; R6 represents a hydrogen atom or an alkyl group; R8 represents an alkyl group; R9 represents a hydrogen atom or an alkyl group; n and m are identical or different and each represents an integer of 0 to 6; provided that when either one of R' and R2 is a hydrogen atom, R9 is an alkyl group; or an acid addition salt thereof. The 1,4-dihydropyridine derivative is characterized by a strong antihypertensive activity and the long duration of the activity.

  式中的 1，4-二氢吡啶衍生物 其中 R1 和 R2 相同或不同，各自代表氢原子、卤素原子或硝基，但 R1 和 R2 不能同时为氢原子； R3 代表烷基； R4 代表可被取代的芳烷基； R5 和 R7 相同或不同，各自代表烷基；R6代表氢原子或烷基； R8代表烷基； R9代表氢原子或烷基； n和m相同或不同，且各自代表0至6的整数；条件是当R'和R2中的一个为氢原子时，R9为烷基； 或其酸加成盐。 1,4-二氢吡啶衍生物的特点是具有较强的降压活性和较长的活性持续时间。
• Kanno Hideo, Yamaguchi Hisao, Okamiya Yoshiaki, Sunakawa Kiyotaka, Takesh+, Chem. and Pharm. Bull., 40 (1992) N 8, S 2049-2054
  作者：Kanno Hideo, Yamaguchi Hisao, Okamiya Yoshiaki, Sunakawa Kiyotaka, Takesh+

  DOI：——

  日期：——
• YAMAGUCHI, HISAO;KANNO, HIDEO;OKAMIYA, YOSHIAKI;SUNAKAWA, KIYOTAKA
  作者：YAMAGUCHI, HISAO、KANNO, HIDEO、OKAMIYA, YOSHIAKI、SUNAKAWA, KIYOTAKA

  DOI：——

  日期：——
• US4578395A
  申请人：——

  公开号：US4578395A

  公开（公告）日：1986-03-25