5-<2-(4-benzhydrylpiperazin-1-yl)ethoxycarbonyl>-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine | 107610-45-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-<2-(4-benzhydrylpiperazin-1-yl)ethoxycarbonyl>-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine
• 英文别名: 5-[2-(4-Benzhydrylpiperazin-1-yl)ethyl]oxycarbonyl-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine；3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester；5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 107610-45-7
• 化学式: C₃₄H₃₅ClN₄O₆
• 分子量: 631.128
• InChiKey: HNVFSDOPQBVHEU-UHFFFAOYSA-N

物化性质

• 熔点：
  131-134 °C
• 沸点：
  732.7±60.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  dimethyl 2-(3-nitrobenzylidene)malonate 在 三乙胺 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 23.5h， 生成 5-<2-(4-benzhydrylpiperazin-1-yl)ethoxycarbonyl>-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine
  参考文献：
  名称：

  通过用氧氯化磷氯化2-羟基-1,4-二氢吡啶来合成新型2-氯-1,4-二氢吡啶。

  摘要：

  通过用POCl3氯化2-羟基-1,4-二氢吡啶合成了新型2-氯-1,4-二氢吡啶衍生物。与在位置2具有甲基的二氢吡啶（尼卡地平和尼群地平）相比，在位置2氯化的二氢吡啶具有更强的血管舒张和降压活性。

  DOI：

  10.1248/cpb.37.2117

文献信息

• Novel 1,4-dihydropyridine derivatives, process for preparing the same,
  申请人：Suntory Limited

  公开号：US04824837A1

  公开（公告）日：1989-04-25

  1,4-Dihydropyridine derivatives of the formula (1): ##STR1## wherein X is a halogen; R.sup.1 is a straight, branched or cyclic alkyl group having 1 to 10 carbon atoms, the group --(CH.sub.2).sub.n -Y [where n is an integer of 0 to 8, provided that n is an integer of 2 to 8 when Y is not bonded to COO-- through carbon; Y is a cyclic alkyl group having 3-6 carbon atoms, an aryl group having 6-10 carbon atoms, a pyrrolidinyl group, an imidazolidinyl group, a thienyl group, a furyl group, an imidazolyl group, a pyridyl group, a pyrimidinyl group, a morpholinyl group, a thiomorpholinyl group or a pyrrolizidinyl group, the group ##STR2## (where D is an aryl or aralkyl group having 6-15 carbon atoms which may be substituted by a halogenated alkyl group), or a 3-piperidinyl group substituted by a phenylalkyl group of 7-10 carbon atoms which may be substituted by one or two halogens], the group --(CH.sub.2).sub.m --O--Z (where m is an integer of 1 to 8; and Z is an alkyl or aryl group), or the group ##STR3## (where l is an integer of 1-7; A is a hydrogen atom, an alkyl group or an aryl group; and R.sup.3 and R.sup.4 which may be the same or different represent an alkyl, aryl or aralkyl group); and R.sup.2 is a lower alkyl group, and pharmaceutically acceptable acid addition salts thereof are effective for treating disorders of the circulatory system and are useful as hypotensives, cerebral circulation improvers and antianginal agents. Processes for producing the above copounds economically and effectively are also disclosed.

  式(1)的1,4-二氢吡啶衍生物：##STR1##其中X为卤素；R1为直链、支链或环状的具有1至10个碳原子的烷基，该基团--(CH2)n-Y[其中n为0至8的整数，当Y不通过碳与COO-连接时，n为2至8的整数；Y为具有3-6个碳原子的环烷基，具有6-10个碳原子的芳基，吡咯烷基，咪唑烷基，噻吩基，呋喃基，咪唑基，吡啶基，嘧啶基，吗啉基，硫吗啉基或吡咯啉基，该基团##STR2##（其中D为具有6-15个碳原子的芳基或芳烷基，该基团可被卤代烷基取代），或被具有7-10个碳原子且可被一个或两个卤素取代的苯基烷基取代的3-哌啶基]，该基团--( )m--O--Z（其中m为1至8的整数；Z为烷基或芳基），或该基团##STR3##（其中l为1-7的整数；A为氢原子，烷基或芳基；R3和R4可相同或不同，代表烷基，芳基或芳烷基）；R2为低级烷基，以及其药学上可接受的酸加成盐，用于治疗循环系统疾病，作为降压药，改善脑循环药和抗心绞痛药有效。还公开了经济有效地生产上述化合物的工艺。
• 1,4-Dihydropyridine derivatives, process for preparing them, pharmaceutical composition and use
  申请人：SUNTORY LIMITED

  公开号：EP0207514A2

  公开（公告）日：1987-01-07

  1,4-Dihydropyridine derivatives of the formula - (1): wherein X, R' and R2 are as defined in the specification and pharmaceutically acceptable acid addition salts thereof, processes for preparing them, pharmaceutical composition containing them, and their use in the preparation of a medicament for the treatment of disorders of the circulatory system are provided.

  式-(1)的 1,4-二氢吡啶衍生物： 其中 X、R'和 R2 如说明书中所定义，本发明提供了它们及其药学上可接受的酸加成盐、它们的制备工艺、含有它们的药物组合物，以及它们在制备治疗循环系统疾病的药物中的用途。
• CHO, HIDETSURA;UEDA, MASARU;MIZUNO, AKIRA;ISHIHARA, TAKAFUMI;AISAKA, KAZU+, CHEM. AND PHARM. BULL., 37,(1989) N, C. 2117-2121
  作者：CHO, HIDETSURA、UEDA, MASARU、MIZUNO, AKIRA、ISHIHARA, TAKAFUMI、AISAKA, KAZU+

  DOI：——

  日期：——
• CHO, HIDETSURA;UEDA, MASARU
  作者：CHO, HIDETSURA、UEDA, MASARU

  DOI：——

  日期：——
• US4824837A
  申请人：——

  公开号：US4824837A

  公开（公告）日：1989-04-25