1-[2-(甲磺酰基)苯基]哌嗪盐酸盐 | 916488-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-[2-(甲磺酰基)苯基]哌嗪盐酸盐
• 中文别名: 1-[2-(甲基磺酰基)苯基]-哌嗪二盐酸盐
• 英文名称: 1-[2-(methylsulfonyl)phenyl]piperazine dihydrochloride
• 英文别名: 1-(2-(Methylsulfonyl)phenyl)piperazine hydrochloride；1-(2-methylsulfonylphenyl)piperazine;hydrochloride
• CAS: 916488-42-1
• 化学式: C₁₁H₁₆N₂O₂S*2ClH
• 分子量: 313.248
• InChiKey: IUPNZPVYAOOERH-UHFFFAOYSA-N

物化性质

• 熔点：
  285-289 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  、 1-[2-(甲磺酰基)苯基]哌嗪盐酸盐 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以44 mg的产率得到
  参考文献：
  名称：

  Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives

  摘要：

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.023
• 作为产物：
  描述：

  2-氟苯基甲基砜 在 盐酸 、 potassium carbonate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 16.0h， 生成 1-[2-(甲磺酰基)苯基]哌嗪盐酸盐
  参考文献：
  名称：

  Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives

  摘要：

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.023

文献信息

• Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives
  作者：Toshiyuki Takahashi、Aya Sakuraba、Tomoko Hirohashi、Takunobu Shibata、Masaaki Hirose、Yuji Haga、Katsumasa Nonoshita、Tetsuya Kanno、Junko Ito、Hisashi Iwaasa、Akio Kanatani、Takehiro Fukami、Nagaaki Sato

  DOI：10.1016/j.bmc.2006.07.023

  日期：2006.11

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.