螺[环己烷-1,3-吲哚啉]-4-羧酸甲酯 | 268538-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 螺[环己烷-1,3-吲哚啉]-4-羧酸甲酯
• 英文名称: Methyl spiro[cyclohexane-1,3'-indoline]-4-carboxylate
• 英文别名: methyl spiro[1,2-dihydroindole-3,4'-cyclohexane]-1'-carboxylate
• CAS: 268538-23-4
• 化学式: C₁₅H₁₉NO₂
• 分子量: 245.321
• InChiKey: FJBYWRPJPLSKLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  螺[环己烷-1,3-吲哚啉]-4-羧酸甲酯 、 甲基磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 、 methyl 1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxylate
  参考文献：
  名称：

  Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists

  摘要：

  A series of spiroindoline-3,40-piperidine derivatives were synthesized and evaluated for their binding affinities and antagonistic activities at Y5 receptors. Potent Y5 antagonists were tested for their oral bioavailabilities and brain penetration in rats. Some of the antagonists showed good oral bioavailability and/ or good brain penetration. In particular, compound 6e was orally bioavailable and brain penetrant, and oral administration of 6e inhibited bPP-induced food intake in rats with a minimum effective dose of 10 mg/ kg. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.02.035
• 作为产物：
  描述：

  4-甲酰基环己烷羧酸甲酯 、 苯肼 在 三氟乙酸 、 sodium tetrahydroborate 作用下， 以 甲苯 、 乙腈 、 甲醇 为溶剂， 生成 螺[环己烷-1,3-吲哚啉]-4-羧酸甲酯
  参考文献：
  名称：

  Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists

  摘要：

  A series of spiroindoline-3,40-piperidine derivatives were synthesized and evaluated for their binding affinities and antagonistic activities at Y5 receptors. Potent Y5 antagonists were tested for their oral bioavailabilities and brain penetration in rats. Some of the antagonists showed good oral bioavailability and/ or good brain penetration. In particular, compound 6e was orally bioavailable and brain penetrant, and oral administration of 6e inhibited bPP-induced food intake in rats with a minimum effective dose of 10 mg/ kg. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.02.035

文献信息

• Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists
  作者：Toshihiro Sakamoto、Minoru Moriya、Yuji Haga、Toshiyuki Takahashi、Takunobu Shibata、Osamu Okamoto、Katsumasa Nonoshita、Hidefumi Kitazawa、Masayasu Hidaka、Akira Gomori、Hisashi Iwaasa、Akane Ishihara、Akio Kanatani、Takehiro Fukami、Ying-Duo Gao、Douglas J. MacNeil、Lihu Yang

  DOI：10.1016/j.bmcl.2009.02.035

  日期：2009.3

  A series of spiroindoline-3,40-piperidine derivatives were synthesized and evaluated for their binding affinities and antagonistic activities at Y5 receptors. Potent Y5 antagonists were tested for their oral bioavailabilities and brain penetration in rats. Some of the antagonists showed good oral bioavailability and/ or good brain penetration. In particular, compound 6e was orally bioavailable and brain penetrant, and oral administration of 6e inhibited bPP-induced food intake in rats with a minimum effective dose of 10 mg/ kg. (C) 2009 Published by Elsevier Ltd.