3-cyclopropylmethyl 5-[2-[N-(4-methoxybenzyl)-N-methylamino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | 109232-84-0

• 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-cyclopropylmethyl 5-[2-[N-(4-methoxybenzyl)-N-methylamino]ethyl] 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
• 英文别名: 5-O-(cyclopropylmethyl) 3-O-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 109232-84-0
• 化学式: C₃₀H₃₅N₃O₇
• 分子量: 549.624
• InChiKey: GHLFNCKGFPADGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  cyclopropylmethyl 2-(3-nitrobenzylidene)acetoacetate 以46%的产率得到
  参考文献：
  名称：

  KURONO, MASAYASU;SUZUKI, TSUNEMASA;KONDO, YASUAKI;HAMASE, KENJI;USUI, TOS+

  摘要：

  DOI：

文献信息

• 1,4-dihydropyridine derivatives
  申请人：Sanwa Kagaku Kenkyusho Co., Ltd.

  公开号：US04824855A1

  公开（公告）日：1989-04-25

  1,4-Dihydropyridine derivatives represented by the formula ##STR1## wherein one of R.sup.1 and R.sup.2 is cycloalkylmethyl group and the other is a group of ##STR2## in which R.sup.3 is hydrogen atom or lower alkyl group and R.sup.4 is hydrogen atom, hydroxyl radical, carboxyl radical, alkoxycarbonyl group, carbamoyl radical, phenyl radical, substituted phenyl radical or trialkylsilyl group, or R.sup.3 and R.sup.4 may be bonded each other, and n and m are an integer of 1 to 6, respectively salts thereof, a process for the preparation of same as well as a pharmaceutical agent comprising the compound or salt, as an effective ingredient.

  1,4-二氢吡啶衍生物的化学式为##STR1##其中R.sup.1和R.sup.2中的一个为环烷基甲基基团，另一个为##STR2##中的基团，其中R.sup.3是氢原子或低级烷基基团，而R.sup.4是氢原子、羟基自由基、羧基自由基、烷氧羰基基团、氨基基团、苯基自由基、取代苯基自由基或三烷基硅基团，或R.sup.3和R.sup.4可以彼此连接，n和m分别为1到6的整数，其盐，制备方法以及以该化合物或盐为有效成分的制药剂。
• 1,4-Dihydropyridine pharmaceutical derivatives and their salts, and the preparation thereof
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：EP0220917A1

  公开（公告）日：1987-05-06

  1,4-Dihydropyridine derivatives are represented by the formula wherein one of R and R2 is cycloalkyl (C3 - C6) methyl and the other is a group in which R3 is hydrogen or a C1-3 alkyl and R4 is hydrogen, hydroxy, carboxyl. alkoxycarbonyl carbamoyl, phenyl. substituted (eg halo- methoxy or nitro-) phenyl or trialkylsilyl, or R3 and R4 may link to form a N-heterocycle and n and m are each 1 to 6 Preparation can be by reacting ammonia or a salt thereof with C6 H 3NO 2 -C=C(COOR5)-COCH 3 + CH3 .CO. CH2 COOR6 wherein R 5 and R 6 are as defined for R1 and R2 : the product can be reacted with an acid to form a pharmaceutical salt. Other condensations can be used. Pharmaceutical preparations of the compounds are used orally to increase cerebral blood flow.

  1,4-二氢吡啶衍生物由以下式子表示 其中 R 和 R2 一个是环烷基（C3-C6）甲基，另一个是基团 其中 R3 为氢或 C1-3 烷基，R4 为氢、羟基、羧基、烷氧羰基氨基甲酰基、苯基、取代（如卤代甲氧基或硝基）苯基或三烷基硅基，或 R3 和 R4 可连接形成一个 N-杂环，n 和 m 分别为 1 至 6。 制备方法是将氨或其盐与 C6 H 3NO 2 -C=C(COOR5)-COCH 3 + CH3 .CO.CH2 COOR6 其中 R 5 和 R 6 如 R1 和 R2 所定义：产物可与酸反应生成药用盐。也可以使用其他缩合物。 这些化合物的药用制剂可口服用于增加脑血流量。
• US4824855A
  申请人：——

  公开号：US4824855A

  公开（公告）日：1989-04-25