FR-226928 free base | 765261-46-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: FR-226928 free base
• 英文别名: N-[2-[4-[[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
• CAS: 765261-46-9
• 化学式: C₃₁H₄₁N₃O₃S
• 分子量: 535.751
• InChiKey: ITJLZSOZZWEOJL-UHFFFAOYSA-N

物化性质

• 沸点：
  705.5±70.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  79
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-Boc-4-哌啶甲酸乙酯 在 N-甲基吗啉 、 盐酸 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 三乙酰氧基硼氢化钠 、 一水合肼 、 溶剂黄146 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 乙酸乙酯 为溶剂， 生成 FR-226928 free base
  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

文献信息

• Novel potent antagonists of human neuropeptide Y Y5 receptors. Part 2: substituted benzo[a]cycloheptene derivatives
  作者：Hiromichi Itani、Harunobu Ito、Yoshihiko Sakata、Yoshifumi Hatakeyama、Hiroko Oohashi、Yoshinari Satoh

  DOI：10.1016/s0960-894x(02)00002-1

  日期：2002.3

  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.