N-[2-(哌嗪-1-基)]甲基磺酰胺盐酸盐 | 199105-19-6

• 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: N-[2-(哌嗪-1-基)]甲基磺酰胺盐酸盐
• 中文别名: N-[2-(哌嗪-1-基)苯基]甲基硫胺盐酸盐
• 英文名称: N-[2-(1-piperazinyl)phenyl]methanesulfonamide dihydrochloride
• 英文别名: N-(2-(Piperazin-1-yl)phenyl)methanesulfonamide hydrochloride；N-(2-piperazin-1-ylphenyl)methanesulfonamide;hydrochloride
• CAS: 199105-19-6
• 化学式: C₁₁H₁₇N₃O₂S*2ClH
• 分子量: 328.263
• InChiKey: WWZJYEBQRPWIKX-UHFFFAOYSA-N

物化性质

• 沸点：
  427.6±55.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.89
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  69.8
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  N-[2-(哌嗪-1-基)]甲基磺酰胺盐酸盐 在 乙醇 、 sodium carbonate 作用下， 反应 8.0h， 生成 N-(2-(4-(3-(2-(4-bromophenoxy)ethoxy)-2-hydroxypropyl)piperazin-1-yl)phenyl)methanoesulfonamide
  参考文献：
  名称：

  Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold

  摘要：

  Previously, we identified 1-(2-(4-bromophenoxy) ethoxy)-3-(4-(2-methoxyphenyl) piperazin-1-yl) propan- 2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.070
• 作为产物：
  描述：

  4-(2-aminophenyl)piperazine-1-carbaldehyde 在 盐酸 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 生成 N-[2-(哌嗪-1-基)]甲基磺酰胺盐酸盐
  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

• Substituted piperazines and methods of use
  申请人：——

  公开号：US20030220324A1

  公开（公告）日：2003-11-27

  Selected substituted piperazine compounds are effective for prophylaxis and treatment of diseases, such as obesity and the like. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving activation of the melanocortin receptor. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选择的替代哌嗪化合物对于预防和治疗疾病，如肥胖等，具有有效性。该发明涵盖了新型化合物、类似物、前药和其药用盐，以及用于预防和治疗涉及黑素皮质素受体激活的疾病和其他疾病或病症的药物组合物和方法。该发明还涉及制备这类化合物的方法，以及在这些过程中有用的中间体。
• Substituted piperazinyl amides and methods of use
  申请人：Amgen Inc.

  公开号：US07115607B2

  公开（公告）日：2006-10-03

  Selected substituted piperazine compounds of Formula I are effective for prophylaxis and treatment of diseases, such as obesity and the like. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving activation of the melanocortin receptor. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  公式I中选择的取代哌嗪化合物对于预防和治疗肥胖症等疾病有效。本发明涵盖了新型化合物、类似物、前药和其药学上可接受的盐、药物组合物以及预防和治疗激活黑色素细胞受体相关的疾病和其他疾病或病情的方法。本发明还涉及制备这种化合物的过程以及在这种过程中有用的中间体。
• SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR
  申请人：AMGEN INC.

  公开号：EP1417190B1

  公开（公告）日：2008-10-22
• US4788196A
  申请人：——

  公开号：US4788196A

  公开（公告）日：1988-11-29
• US7115607B2
  申请人：——

  公开号：US7115607B2

  公开（公告）日：2006-10-03