2-amino-4-(4-(2-chloroethyl)-phenyl)thiazole hydrobromide | 117922-94-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-amino-4-(4-(2-chloroethyl)-phenyl)thiazole hydrobromide
• 英文别名: 4-<4-(2-chloroethyl)phenyl>-2-aminothiazole hydrobromide；4-(4-(2-chloroethyl)phenyl)-2-aminothiazole hydrobromide；4-(2-Chloroethyl)phenyl-2-aminothiazole hydrobromide；4-[4-(2-chloroethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
• CAS: 117922-94-8
• 化学式: BrH*C₁₁H₁₁ClN₂S
• 分子量: 319.653
• InChiKey: XPCPGMSVPJJFPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino-4-(4-(2-chloroethyl)-phenyl)thiazole hydrobromide 在 盐酸 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 4-[4-(2-Piperazin-1-yl-ethyl)-phenyl]-thiazol-2-ylamine; hydrochloride
  参考文献：
  名称：

  Parallel-compound synthesis: Methodology for accelerating drug discovery

  摘要：

  Parallel compound synthesis enables large numbers of individual compounds to be prepared simultaneously using semiautomated techniques. This fast and efficient methodology has an important role to play in accelerating lead optimisation and hence the whole drug discovery process. The potential of this strategy to rapidly optimise chemical leads and provide structure-activity relationship (SAR) information was demonstrated in two therapeutic areas, antiviral agents (herpes simplex virus), and neurokinin-2 receptor antagonists. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0968-0896(96)00058-2
• 作为产物：
  描述：

  4-(2-氯乙基)苯乙酮 在 氮气 、 溴 、 溶剂黄146 、 硫脲 作用下， 以 乙酸乙酯 、 丙酮 为溶剂， 以0.81 g (51%)的产率得到2-amino-4-(4-(2-chloroethyl)-phenyl)thiazole hydrobromide
  参考文献：
  名称：

  Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds

  摘要：

  芳基哌嗪基-烷基苯基-p-杂环化合物及其药用可接受的酸盐是神经阻滞剂。它们在治疗精神疾病中很有用。

  公开号：

  US04891375A1

文献信息

• 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents
  作者：John A. Lowe、Thomas F. Seeger、Arthur A. Nagel、Harry R. Howard、Patricia A. Seymour、James H. Heym、Frank E. Ewing、Michael E. Newman、Anne W. Schmidt

  DOI：10.1021/jm00110a016

  日期：1991.6

  The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat predictive of an antipsychotic agent with a low propensity to cause extrapyramidal side effects in man.
• LOWE, JOHN A. (III)
  作者：LOWE, JOHN A. (III)

  DOI：——

  日期：——
• US4891375A
  申请人：——

  公开号：US4891375A

  公开（公告）日：1990-01-02
• Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds
  申请人：Pfizer Inc.

  公开号：US04891375A1

  公开（公告）日：1990-01-02

  Arylpiperazinyl-alkylenephenyl-p-heterocyclic compounds, and the pharmaceutically acceptable acid addition salts thereof are neuroleptic agents. They are useful in the treatment of psychotic disorders.

  芳基哌嗪基-烷基苯基-p-杂环化合物及其药用可接受的酸盐是神经阻滞剂。它们在治疗精神疾病中很有用。
• Parallel-compound synthesis: Methodology for accelerating drug discovery
  作者：Christopher N. Selway、Nicholas K. Terrett

  DOI：10.1016/0968-0896(96)00058-2

  日期：1996.5

  Parallel compound synthesis enables large numbers of individual compounds to be prepared simultaneously using semiautomated techniques. This fast and efficient methodology has an important role to play in accelerating lead optimisation and hence the whole drug discovery process. The potential of this strategy to rapidly optimise chemical leads and provide structure-activity relationship (SAR) information was demonstrated in two therapeutic areas, antiviral agents (herpes simplex virus), and neurokinin-2 receptor antagonists. Copyright (C) 1996 Elsevier Science Ltd.