3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-methylenedioxy-1-(4-imidazolylmethyl)-1H-indazole | 162496-45-9

• 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: 3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-methylenedioxy-1-(4-imidazolylmethyl)-1H-indazole
• 英文别名: 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-(1H-imidazol-5-ylmethyl)-[1,3]dioxolo[4,5-f]indazole
• CAS: 162496-45-9
• 化学式: C₂₅H₂₇ClN₆O₂
• 分子量: 478.981
• InChiKey: LGPZHWVEPLTNER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Piperazine derivatives useful as calmodolin inhibitors
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0624584A1

  公开（公告）日：1994-11-17

  A compound represented by formula (I): wherein Q represents an aryl group, a heterocyclic group, a diarylmethyl group, an aralkyl group composed of an aryl group and an alkylene group, an alkyl group or a cycloalkyl group, in which the aryl group, heterocyclic group, and the aryl moiety of the diarylmethyl group and aralkyl group may be substituted with one or more substituents; R represents a bicyclic, substituted, nitrogen-containing heterocyclic group or a substituted phenyl group, in which the nitrogen-containing heterocyclic group is composed of a 5-membered, substituted, aromatic or saturated ring containing one or two nitrogen atoms and a 6-membered ring; and Z represents an alkylene group, an alkenylene group, an alkylene group, a carbonyl group, an alkylene group containing a carbonyl group or an oxalyl group, or a salt thereof. The compound has calmodulin inhibitory activity and is useful as a treating agent for diseases in the circulatory organs or in the cerebral region which are caused by excessive activation of calmodulin.

  式 (I) 所代表的化合物： 其中 Q 代表芳基、杂环基、二芳甲基、由芳基和亚烷基组成的芳烷基、烷基或环 烷基，其中芳基、杂环基以及二芳甲基和芳烷基的芳基可被一个或多个取代基取代；R 代表双环、取代的含氮杂环基团或取代的苯基，其中含氮杂环基团由含有一个或两个氮原子的五元环、取代的芳香环或饱和环以及六元环组成；以及 Z 代表烯基、烯基、亚烷基、羰基、含有羰基的亚烷基或草酰基、 或其盐。该化合物具有钙调蛋白抑制活性，可用于治疗因钙调蛋白过度活化而引起的循环器官或脑部疾病。
• PIPERAZINE-CYCLODEXTRIN COMPLEXES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1029872A1

  公开（公告）日：2000-08-23

  The present invention relates to a compound represented by formula (1): wherein Q, which may have a substituent, represents an aryl group, a heterocyclic group, a diarylmethyl group, or an aralkyl group; R, which may have a substituent, represents a bicyclic nitrogen-containing heterocyclic group or a phenyl group; and Z represents a C1-C3 alkylene group, a C2-C4 alkenylene group, a C1-C3 alkylene group having one hydroxyl group, a carbonyl moiety, a C1-C2 alkylene group containing one carbonyl moiety at one end or an intermediate position of the carbon chain, or an oxalyl group; or salts thereof and a piperazine-cyclodextrin complex combined with a water-soluble cyclodextrin derivative. The complex exhibits enhanced water solubility, excellent stability, and low topical stimulation and is useful as a therapeutic agent for circulatory diseases and diseases of the brain region.

  本发明涉及一种由式(1)表示的化合物： 其中 Q（可以有取代基）代表芳基、杂环基、二芳甲基或芳烷基；R（可以有取代基）代表双环含氮杂环基或苯基；Z 代表 C1-C3 亚烷基、C2-C4 烯基、具有一个羟基的 C1-C3 亚烷基、羰基、在碳链一端或中间位置含有一个羰基的 C1-C2 亚烷基或草酰基；或它们的盐以及与水溶性环糊精衍生物结合的哌嗪-环糊精复合物。 该复合物具有更强的水溶性、出色的稳定性和较低的局部刺激性，可用作循环系统疾病和脑部疾病的治疗剂。
• Piperazine derivatives useful as calmodulin inhibitors
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0624584B1

  公开（公告）日：1998-08-19
• US6596706B1
  申请人：——

  公开号：US6596706B1

  公开（公告）日：2003-07-22