Naphthalene-1-sulfonic acid (4-hydroxymethyl-cyclohexylmethyl)-amide | 192323-19-6

• 英文名称: Naphthalene-1-sulfonic acid (4-hydroxymethyl-cyclohexylmethyl)-amide
• CAS: 192323-19-6
• 化学式: C₁₈H₂₃NO₃S
• 分子量: 333.452
• InChiKey: WPQGSIMEDAEAJS-SHTZXODSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  1-萘磺酰氯 在 sodium hydroxide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 Naphthalene-1-sulfonic acid (4-hydroxymethyl-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