5-Bromo-2,3-dihydro-1H-indene-2-carbaldehyde | 173477-20-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5-Bromo-2,3-dihydro-1H-indene-2-carbaldehyde
• 英文别名: 5-bromo-2,3-dihydro-1H-indene-2-carbaldehyde
• CAS: 173477-20-8
• 化学式: C₁₀H₉BrO
• 分子量: 225.085
• InChiKey: SCKQSSDNKHIULU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-Bromo-2,3-dihydro-1H-indene-2-carbaldehyde 、 在 sodium cyanoborohydride 作用下， 以 乙醇 为溶剂， 生成 N-[[(2S)-5-bromo-2,3-dihydro-1H-inden-2-yl]methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
  参考文献：
  名称：

  Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs

  摘要：

  Benzimidazole and indane are the two key fragments in our potent and selective MCH-1 receptor (MCHR1) antagonists. To identify novel linkers connecting the two fragments, we investigated diamino-cycloalkane-derived analogs and discovered highly potent antagonists with cis-1,4-diaminocyclohexane as a unique spacer in this chemical class. Structural overlay suggested that cis-1-substituted-4-aminocyclohexane functions as a bioisostere of 4-substituted-piperidine and that the active conformation adopts a U-shaped orientation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.017
• 作为产物：
  描述：

  4-溴邻苯二甲酸 在 硼烷四氢呋喃络合物 作用下， 生成 5-Bromo-2,3-dihydro-1H-indene-2-carbaldehyde
  参考文献：
  名称：

  Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs

  摘要：

  Benzimidazole and indane are the two key fragments in our potent and selective MCH-1 receptor (MCHR1) antagonists. To identify novel linkers connecting the two fragments, we investigated diamino-cycloalkane-derived analogs and discovered highly potent antagonists with cis-1,4-diaminocyclohexane as a unique spacer in this chemical class. Structural overlay suggested that cis-1-substituted-4-aminocyclohexane functions as a bioisostere of 4-substituted-piperidine and that the active conformation adopts a U-shaped orientation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.017

文献信息

• MCH receptor antagonists
  申请人：Berthel Joseph Steven

  公开号：US20070078165A1

  公开（公告）日：2007-04-05

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of obesity, hyperphagia, anxiety, depression and related disorders and diseases.

  本文提供了以下式(I)的化合物及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗肥胖、暴饮暴食、焦虑、抑郁以及相关的疾病和疾病非常有用。
• DIAMINOCYCLOALKANE MCH RECEPTOR ANTAGONISTS
  申请人：Erickson Shawn David

  公开号：US20080146636A1

  公开（公告）日：2008-06-19

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of obesity, hyperphagia, anxiety, depression and related disorders and diseases.

  本文提供了公式(I)的化合物，以及其药学上可接受的盐，其中取代基如规范中所披露。这些化合物及含有它们的药物组合物对于治疗肥胖症、过度进食、焦虑、抑郁和相关的疾病和疾病非常有用。
• INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1934199B1

  公开（公告）日：2009-04-22
• DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2089368A1

  公开（公告）日：2009-08-19
• US7652053B2
  申请人：——

  公开号：US7652053B2

  公开（公告）日：2010-01-26