Naphthalene-1-sulfonic acid [2-(3-aminomethyl-azetidin-1-yl)-ethyl]-amide | 345954-68-9

• 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 [2-(3-aminomethyl-azetidin-1-yl)-ethyl]-amide
• 英文别名: N-[2-[3-(aminomethyl)azetidin-1-yl]ethyl]naphthalene-1-sulfonamide
• CAS: 345954-68-9
• 化学式: C₁₆H₂₁N₃O₂S
• 分子量: 319.428
• InChiKey: QBILHMUHUOXBAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Methoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-6-carbaldehyde 、 Naphthalene-1-sulfonic acid [2-(3-aminomethyl-azetidin-1-yl)-ethyl]-amide 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 生成 Naphthalene-1-sulfonic acid [2-(3-{[(3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylmethyl)-amino]-methyl}-azetidin-1-yl)-ethyl]-amide
  参考文献：
  名称：

  Novel potent antagonists of human neuropeptide Y Y5 receptors. Part 2: substituted benzo[a]cycloheptene derivatives

  摘要：

  Novel berizo[a]cycloheptene derivatives were prepared for the purpose of searching new neuropeptide Y-Y5 (NPY-Y5) receptor antagonists, The structure activity relationships Lire described and compound 2o (FR226928) showed the most potent affinity for Y5 receptor of all we prepared and was found to have higher potency and better selectivity for Y5 over Y1 receptor affinities when compared with the known lead compound 1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00002-1
• 作为产物：
  描述：

  1-(2-Amino-ethyl)-azetidine-3-carboxylic acid amide 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 生成 Naphthalene-1-sulfonic acid [2-(3-aminomethyl-azetidin-1-yl)-ethyl]-amide
  参考文献：
  名称：

  Novel potent antagonists of human neuropeptide Y Y5 receptors. Part 2: substituted benzo[a]cycloheptene derivatives

  摘要：

  Novel berizo[a]cycloheptene derivatives were prepared for the purpose of searching new neuropeptide Y-Y5 (NPY-Y5) receptor antagonists, The structure activity relationships Lire described and compound 2o (FR226928) showed the most potent affinity for Y5 receptor of all we prepared and was found to have higher potency and better selectivity for Y5 over Y1 receptor affinities when compared with the known lead compound 1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00002-1