1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylic acid methyl ester 2-(N-4-(2,3-dichlorophenyl)piperazinyl)ethyl ester | 90096-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylic acid methyl ester 2-(N-4-(2,3-dichlorophenyl)piperazinyl)ethyl ester
• 英文别名: 2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate；5-O-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 90096-07-4
• 化学式: C₂₈H₃₀Cl₂N₄O₆
• 分子量: 589.475
• InChiKey: YZFUMKWPTPFYDM-UHFFFAOYSA-N

物化性质

• 沸点：
  717.3±60.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(2,3-二氯苯基)-1-哌嗪乙醇 以 异丙醇 为溶剂， 生成 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylic acid methyl ester 2-(N-4-(2,3-dichlorophenyl)piperazinyl)ethyl ester
  参考文献：
  名称：

  具有强效和持久降压作用的新型1,4-二氢吡啶衍生物。

  摘要：

  在寻找对心血管系统具有长效作用的新的1,4-二氢吡啶衍生物时，合成并测试了一系列在哌嗪环的4-氮上带有亲脂性取代基的吡哆酯类化合物I对自发性高血压大鼠(SHR)的降压效果。化合物I，尤其是那些在哌嗪环上有二苯甲基部分的化合物，显示出极其强大且长效的降压特性。还制备了与I相关的类似物，并讨论了结构-活性关系。

  DOI：

  10.1248/cpb.33.3787

文献信息

• Substituted heterocyclylalkyl esters of
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04892875A1

  公开（公告）日：1990-01-09

  Dihydropyridine derivatives and acid addition salts thereof which are of use as prophylactic or/and therapeutic drugs for cardiovascular diseases, said dihydropyridine derivatives having the formula ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 are the same or different and each is alkyl, cycloalkyl, cycloalkylalkyl or alkoxyalkyl; R.sup.4 and R.sup.5 are the same or different and each is hydrogen, halogen, nitro, trifluoromethyl, alkyl, cycloalkyl, alkoxy, cyano, alkoxycarbonyl or alkylthio; R.sup.6 is hydrogen, alkyl, cycloalkyl, aralkyl, aryl or a pyridyl; X is oxygen, sulfur, vinylene, azomethine or a group of the formula ##STR2## A is alkylene; Ar is aryl or a pyridyl; m is an integer of 1 to 3; n is an integer of 0 to 2.

  二氢吡啶衍生物及其酸加成盐可用作心血管疾病的预防或/和治疗药物，其中所述的二氢吡啶衍生物具有以下式子：##STR1## 其中，R.sup.1，R.sup.2和R.sup.3相同或不同，且每个都是烷基，环烷基，环烷基烷基或烷氧基烷基；R.sup.4和R.sup.5相同或不同，且每个都是氢，卤素，硝基，三氟甲基，烷基，环烷基，烷氧基，氰基，烷氧羰基或烷基硫醚；R.sup.6是氢，烷基，环烷基，芳基烷基，芳基或吡啶基；X是氧，硫，乙烯基，偶氮基或式子##STR2##的基团；A是烷基；Ar是芳基或吡啶基；m是1到3的整数；n是0到2的整数。
• DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS AND MEDICAL USES THEREOF
  申请人：Cosunter Pharmaceutical Company

  公开号：EP2251337B1

  公开（公告）日：2013-11-20
• Dihydropyridine derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0094159B1

  公开（公告）日：1990-03-14
• DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF
  申请人：Chen Guo-hua

  公开号：US20110201811A1

  公开（公告）日：2011-08-18

  A dihydropyridine (DHP) calcium antagonist compound and its preparation method and medical use are related to preparation methods of compounds of general formulas (I) and (II) as shown below and their pharmaceutical salts and applications for treating cardiovascular diseases, and R 1 represents a substituted or unsubstituted heterocyclic, aromatic ring or aralkyl group, and the substituent may be C 1 -C 4 alkyl, C 1 -C 4 alkoxyl, halogen, cyano, trifluoromethyl, trifluoromethoxyl, methylthio, nitro, amino or hydroxyl group; R 2 represents a C 1 -C 8 alkyl group; R 3 and R 4 are the same or different, and each represents a hydrogen, halogen, cyano, trifluoromethyl, trifluoromethoxyl, methylthio, nitro or amino group or a C 1 -C 4 alkyl, C 1 -C 4 alkoxyl, C 1 -C 4 alkenyl, or C 1 -C 4 alkinyl group; R 5 and R 6 are the same or different, and each represents a C 1 -C 4 alkyl group; X represents O, S or a single bond; m=0-6, n=1-6, and m and n are the same or different.
• US4892875A
  申请人：——

  公开号：US4892875A

  公开（公告）日：1990-01-09