1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine | 223254-05-5

• 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-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
• 英文别名: 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
• CAS: 223254-05-5
• 化学式: C₁₆H₁₉BrN₂OS
• 分子量: 367.31
• InChiKey: IGPCTLTXCPFDIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine 在 sodium tetrahydroborate 、 氯化亚砜 、 叔丁基锂 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  Novel thiophene derivatives for the treatment of benign prostatic hyperplasia

  摘要：

  The syntheses and biological activities of a novel series of 2,4- and 2,5-disubstituted thiophenes are reported. These analogues have shown excellent affinity and selectivity against alpha(1)-adrenoreceptor subtypes. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00347-5
• 作为产物：
  描述：

  5-溴噻吩-2-甲醛 、 1-(2-甲氧苯基)哌嗪 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
  参考文献：
  名称：

  Novel thiophene derivatives for the treatment of benign prostatic hyperplasia

  摘要：

  The syntheses and biological activities of a novel series of 2,4- and 2,5-disubstituted thiophenes are reported. These analogues have shown excellent affinity and selectivity against alpha(1)-adrenoreceptor subtypes. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00347-5

文献信息

• Heterocycles useful in the treatment of benign prostatic hyperplasia
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US06384035B1

  公开（公告）日：2002-05-07

  This invention relates a to a series of heterocyclic substituted piperazines of Formula I pharmaceutical compositions containing them and intermediates used in their manufacture. The compounds of the invention selectively inhibit binding to the &agr;-1a adrenergic receptor, a receptor which has been implicated in benign prostatic hyperplasia. As such the compounds are potentially useful in the treatment of this disease.

  这项发明涉及一系列异环取代哌嗪的化合物I的制药组合物，以及用于其制备的中间体。该发明的化合物选择性地抑制与α-1a肾上腺能受体的结合，该受体已被认为与良性前列腺增生有关。因此，这些化合物在治疗这种疾病方面具有潜在的用途。
• Novel thiophene derivatives for the treatment of benign prostatic hyperplasia
  作者：Haripada Khatuya、Virginia L. Pulito、Linda K. Jolliffe、Xiaobing Li、William V. Murray

  DOI：10.1016/s0960-894x(02)00347-5

  日期：2002.8

  The syntheses and biological activities of a novel series of 2,4- and 2,5-disubstituted thiophenes are reported. These analogues have shown excellent affinity and selectivity against alpha(1)-adrenoreceptor subtypes. (C) 2002 Elsevier Science Ltd. All rights reserved.