2-chloro-5-piperazin-1-yl benzonitrile | 442549-41-9

• 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: 2-chloro-5-piperazin-1-yl benzonitrile
• 英文别名: 2-Chloro-5-(piperazin-1-yl)benzonitrile；2-chloro-5-piperazin-1-ylbenzonitrile
• CAS: 442549-41-9
• 化学式: C₁₁H₁₂ClN₃
• 分子量: 221.689
• InChiKey: WWWQCGABIADKJH-UHFFFAOYSA-N

物化性质

• 沸点：
  412.8±45.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  39.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-5-piperazin-1-yl benzonitrile 、 8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid hydrochloride 生成 2-Chloro-5-(4-{1-[8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromen-2-yl]-methanoyl}-piperazine-1-yl)-benzonitrile
  参考文献：
  名称：

  Therapeutic chroman compounds

  摘要：

  本文提供的是一种化合物，其化学式表示为（I），其中这些化合物对治疗偏头痛有用。还提供了制备化合物（I）和中间体的方法。

  公开号：

  US20040110745A1
• 作为产物：
  描述：

  2-氯-5-氨基苯腈 、 二(2-氯乙基)胺盐酸盐 在 potassium iodide 作用下， 以 正丁醇 为溶剂， 以59%的产率得到2-chloro-5-piperazin-1-yl benzonitrile
  参考文献：
  名称：

  Therapeutic chroman compounds

  摘要：

  本文提供的是一种化合物，其化学式表示为（I），其中这些化合物对治疗偏头痛有用。还提供了制备化合物（I）和中间体的方法。

  公开号：

  US20040110745A1

文献信息

• Therapeutic heterocyclic compounds
  申请人：——

  公开号：US20030013708A1

  公开（公告）日：2003-01-16

  Provided herein is a compound having the formula (I): 1 Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有以下式（I）： 其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍。这些化合物还可能用于治疗胃肠道障碍、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT 1B和5HT 1D拮抗剂。
• Therapeutic chromone compounds
  申请人：——

  公开号：US20040087575A1

  公开（公告）日：2004-05-06

  Provided herein is a compound of the formula (I) wherein said compound is useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating, disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B antagonists. Also provided herein are processes for making compounds of Formula (I) and intermediate compounds.

  本文提供的是一种化合物，其化学式为（I），其中该化合物可用于治疗包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍在内的精神疾病。这些化合物也可能对治疗胃肠道疾病、心血管调节、运动障碍、内分泌失调、血管痉挛和性功能障碍有用。这些化合物是5HT 1B 拮抗剂。本文还提供了制备化合物（I）和中间体化合物的方法。
• NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES
  申请人：Pouzet Pascale

  公开号：US20110028441A1

  公开（公告）日：2011-02-03

  The invention relates to novel dihydrothienopyrimidines of the formula 1, and to pharmacologically acceptable salts thereof, formula (1) in which X is SO or SO 2 , but preferably SO, and either R 3 is a monosubstituted phenyl ring in the ortho position or in the meta position, or R 3 is a phenyl ring bisubstituted in any positions, and pharmaceutical compositions which comprise these compounds. These novel dihydrothienopyrimidines are suitable for the treatment of respiratory or gastrointestinal symptoms or disorders, inflammatory disorders of the joints, of the skin or of the eyes, disorders of the peripheral or central nervous system or cancers.

  该发明涉及公式1的新型二氢噻吡嘧啶化合物，以及其药学上可接受的盐，公式（1）中X为SO或SO2，但最好为SO，R3为邻位或间位单取代苯环，或R3为苯环多取代的任意位置，并包含这些化合物的药物组合物。这些新型二氢噻吡嘧啶化合物适用于治疗呼吸道或消化道症状或疾病、关节炎炎症性疾病、皮肤或眼部炎症性疾病、外周或中枢神经系统疾病或癌症。
• [EN] THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES<br/>[FR] COMPOSES THERAPEUTIQUES A BASE DE QUINOLINE, ANTAGONISTES DES 5-HT
  申请人：ASTRAZENECA AB

  公开号：WO2003037872A1

  公开（公告）日：2003-05-08

  Provided herein is a compound having the formula (I), (R2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of a heterocyclic ring; R7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring) wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT1B and 5HT1D antagonists.

  本文提供的化合物具有式(I)，其中(R2通常是三级氮原子，可以是烷基取代或杂环环中的成员；R7通常是单环或双环芳香环或杂环环)，其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍和睡眠障碍。该化合物也可能用于治疗胃肠疾病、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。该化合物是5HT1B和5HT1D拮抗剂。
• Therapeutic quinolone compounds with 5-ht-antagonistic properties
  申请人：Haeberlein Markus

  公开号：US20050085457A1

  公开（公告）日：2005-04-21

  Provided herein is a compound having the formula (I) (R 2 is typically a tertiary nitrogen atom, being either alkyl-substituted or member of q heterocyclic ring; R 7 is typically a monocyclic or bicyclic aromatic ring or a heterocyclic ring) wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有公式（I）（其中，R2通常是三级氮原子，可以是烷基取代或q杂环环成员; R7通常是单环或双环芳香环或杂环环），其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、惊恐障碍和睡眠障碍。这些化合物还可以用于治疗胃肠道疾病、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT1B和5HT1D拮抗剂。