1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide | 736916-96-4

• 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: 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide
• CAS: 736916-96-4
• 化学式: C₁₁H₁₄F₃N₃O₂S
• 分子量: 309.312
• InChiKey: SSGVPKNHVZFPCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 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：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide 、 D-Tic-D-(p-Cl)-Phe 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(trifluoromethylsulfonylamino)phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  参考文献：
  名称：

  Aryl piperazine melanocortin MC4 receptor agonists

  摘要：

  Incorporation of substituted phenyl piperazine privileged structures into a known MC4 specific dipeptoid consensus sequence resulted in a series of potent (EC50 = 24 nM) and selective MC4-R agonists. We report the SAR of this series of compounds using in vitro cAMP functional assays in cells transfected with the MC4 or other melancortin receptors. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00796-0
• 作为产物：
  描述：

  硝基氯苯 在 镍 氢气 、 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1,1,1-trifluoro-N-(2-piperazin-1-ylphenyl)methanesulfonamide
  参考文献：
  名称：

  Aryl piperazine melanocortin MC4 receptor agonists

  摘要：

  Incorporation of substituted phenyl piperazine privileged structures into a known MC4 specific dipeptoid consensus sequence resulted in a series of potent (EC50 = 24 nM) and selective MC4-R agonists. We report the SAR of this series of compounds using in vitro cAMP functional assays in cells transfected with the MC4 or other melancortin receptors. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00796-0

文献信息

• NEW BIS-BENZIMIDAZOLES
  申请人：Bayer Aktiengesellschaft

  公开号：EP1117651A1

  公开（公告）日：2001-07-25
• [EN] NEW BIS-BENZIMIDAZOLES<br/>[FR] NOUVEAUX BIS-BENZIMIDAZOLES
  申请人：BAYER YAKUHIN LTD

  公开号：WO2000020401A1

  公开（公告）日：2000-04-13

  Bis-benzimidazole compounds of general formula (I) in which R?1, R2, R3 and R4¿ are hydrogen, hydroxy or halogen, R?5 and R8¿ are hydrogen, or (C¿1?-C4)-alkyl,R?6 and R7¿ are hydrogen, or (C¿1?-C6)-alkyl, hydroxy, halogen, or (C1-C6)-alkoxy, R?9, R10 and R11¿ are hydrogen, halogen, nitro, cyano or trifluoromethyl, and A is a non-aromatic 5-7-membered N-heterocycle, etc, process for their preparation and their use for treating diseases associated with tryptase activity including allergic, inflammatory and related immunological diseases, in particular asthma, allergic rhinitis, allergic conjunctivitis and allergic dermatitis.
• Aryl piperazine melanocortin MC4 receptor agonists
  作者：Brian Dyck、Jessica Parker、Teresa Phillips、Lee Carter、Brian Murphy、Robin Summers、Julia Hermann、Tracy Baker、Mary Cismowski、John Saunders、Val Goodfellow

  DOI：10.1016/s0960-894x(03)00796-0

  日期：2003.11

  Incorporation of substituted phenyl piperazine privileged structures into a known MC4 specific dipeptoid consensus sequence resulted in a series of potent (EC50 = 24 nM) and selective MC4-R agonists. We report the SAR of this series of compounds using in vitro cAMP functional assays in cells transfected with the MC4 or other melancortin receptors. (C) 2003 Elsevier Ltd. All rights reserved.