Naphthalene-1-sulfonic acid (4-cyanomethyl-cyclohexylmethyl)-amide | 192323-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Naphthalene-1-sulfonic acid (4-cyanomethyl-cyclohexylmethyl)-amide
• CAS: 192323-21-0
• 化学式: C₁₉H₂₂N₂O₂S
• 分子量: 342.462
• InChiKey: PSCFKXSVOWRVTJ-WKILWMFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.84
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  69.96
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Naphthalene-1-sulfonic acid (4-cyanomethyl-cyclohexylmethyl)-amide 在 Ra-Ni 氨 、 氢气 作用下， 以 甲醇 为溶剂， 以89%的产率得到Naphthalene-1-sulfonic acid [4-(2-amino-ethyl)-cyclohexylmethyl]-amide
  参考文献：
  名称：

  Design, synthesis and SAR of a series of 2-substituted 4-amino-quinazoline neuropeptide Y Y 5 receptor antagonists

  摘要：

  The design of a novel series of NPY-Y-5 receptor antagonists is described. Key elements for the design were the identification of weak Y-5 hits from a Y-1 program, results from a combinatorial approach and database mining. This led to the discovery of the quinazoline 4 and the aryl-sulphonamide moiety as major components of the pharmacophore for Y-5 affinity. The synthesis and SAR towards CGP71683A is described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00177-3
• 作为产物：
  描述：

  Naphthalene-1-sulfonic acid (4-hydroxymethyl-cyclohexylmethyl)-amide 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Naphthalene-1-sulfonic acid (4-cyanomethyl-cyclohexylmethyl)-amide
  参考文献：
  名称：

  Design, synthesis and SAR of a series of 2-substituted 4-amino-quinazoline neuropeptide Y Y 5 receptor antagonists

  摘要：

  The design of a novel series of NPY-Y-5 receptor antagonists is described. Key elements for the design were the identification of weak Y-5 hits from a Y-1 program, results from a combinatorial approach and database mining. This led to the discovery of the quinazoline 4 and the aryl-sulphonamide moiety as major components of the pharmacophore for Y-5 affinity. The synthesis and SAR towards CGP71683A is described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00177-3

文献信息

• [EN] RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RECEPTEURS
  申请人：——

  公开号：WO1997020823A2

  公开（公告）日：1997-06-12

  [EN] The invention relates to a compound of formula (I) in which the variables are as defined and/or a salt or a tautomer thereof; and relates to a method of treatment of disorders or diseases associated with NPY receptor subtype Y5, to pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof and to the manufacture of the compounds of formula (I) or a salt thereof.
  [FR] L'invention concerne un composé de la formule (I), dans laquelle les variables sont telles que définies, ainsi qu'un sel ou un tautomère de celui-ci. Elle concerne également une méthode de traitement des troubles et maladies associés au sous-type Y5 du récepteur du neuropeptide Y, des compositions pharmaceutiques comprenant un composé de la formule (I) ou un sel de celui-ci acceptable sur le plan pharmacologique, ainsi que la fabrication des composés de la formule (I) ou d'un sel de ceux-ci.