n-nonyl 2,6-dimethyl-3-isopropylaminocarbonyl-4-(o-nitrophenyl)-1,4-dihydropyridine-5-carboxylate | 1177726-29-2

• 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: n-nonyl 2,6-dimethyl-3-isopropylaminocarbonyl-4-(o-nitrophenyl)-1,4-dihydropyridine-5-carboxylate
• 英文别名: Nonyl 2,6-dimethyl-3-isopropylaminocarbonyl-4-o-nitrophenyl-1,4-dihydropyridine-5-carboxylate；nonyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
• CAS: 1177726-29-2
• 化学式: C₂₇H₃₉N₃O₅
• 分子量: 485.624
• InChiKey: SLUNXVQVVZPRII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-3-amino-N-propan-2-ylbut-2-enamide 、 nonyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate 生成 n-nonyl 2,6-dimethyl-3-isopropylaminocarbonyl-4-(o-nitrophenyl)-1,4-dihydropyridine-5-carboxylate
  参考文献：
  名称：

  HISAKI, MASAKATU;KASHIMA, KENICHI;SAKAMOTO, YASUHIKO;HOJO, MASAKAZU;KATAY+

  摘要：

  DOI：

文献信息

• 3-Aminocarbonyl-1,4-dihydropyridine-5-carboxylic acid compounds, and
  申请人：Nippon Shoji Kabushiki Kaisha

  公开号：US04874773A1

  公开（公告）日：1989-10-17

  Novel 3-aminocarbonyl-1,4-dihydropyridine-5-carboxylic acid compounds of the formula: ##STR1## wherein R.sup.1 is H, C.sub.1-5 alkyl, C.sub.2-5 alkenyl, C.sub.3.5 alkynyl, C.sub.3-8 cycloalkyl, R.sup.2 is C.sub.1-10 alkyl, and the NO.sub.2 group is substituted at ortho- or meta-position, provided that when the NO.sub.2 group is substituted at ortho-position and R.sup.2 is methyl, R.sup.1 is C.sub.3-5 alkyl, C.sub.2-5 alkenyl, C.sub.3-5 alkynyl, or C.sub.3-8 cycloalkyl, and when the NO.sub.2 group is substituted at meta-position and R.sup.1 is H, R.sup.2 is C.sub.3-10 alkyl, which have excellent hypotensive, vasodilating activities and are useful for the prophylaxis and treatment of hypertension, ischemic heart diseases and cerebral and peripheral circulation diseases.

  新型3-氨基羰基-1,4-二氢吡啶-5-羧酸化合物的化学式为：##STR1##其中R.sup.1为H，C.sub.1-5烷基，C.sub.2-5烯基，C.sub.3.5炔基，C.sub.3-8环烷基，R.sup.2为C.sub.1-10烷基，NO.sub.2基团取代在邻位或间位，条件是当NO.sub.2基团取代在邻位且R.sup.2为甲基时，R.sup.1为C.sub.3-5烷基，C.sub.2-5烯基，C.sub.3-5炔基或C.sub.3-8环烷基；当NO.sub.2基团取代在间位且R.sup.1为H时，R.sup.2为C.sub.3-10烷基。这些化合物具有出色的降压、扩血管活性，可用于预防和治疗高血压、缺血性心脏病以及脑部和外周循环疾病。
• 3-Aminocarbonyl-1,4-dihydropyridine-5-carboxylic acid compounds, process for preparation and use thereof, and pharmaceutical composition containing the same
  申请人：Nippon Shoji Kabushiki Kaisha

  公开号：EP0220653B1

  公开（公告）日：1991-11-06
• HISAKI, MASAKATU;KASHIMA, KENICHI;SAKAMOTO, YASUHIKO;HOJO, MASAKAZU;KATAY+
  作者：HISAKI, MASAKATU、KASHIMA, KENICHI、SAKAMOTO, YASUHIKO、HOJO, MASAKAZU、KATAY+

  DOI：——

  日期：——
• US4874773A
  申请人：——

  公开号：US4874773A

  公开（公告）日：1989-10-17