1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylic acid ethyl ester | 85660-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 英文名称: 1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
• CAS: 85660-69-1
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: CTOZCCZDPQNZFT-UHFFFAOYSA-N

物化性质

• 沸点：
  440.9±45.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylic acid ethyl ester 、 苯磺酰氯 在 三乙胺 、 (2S,5S)-(-)-2-叔丁基-3-甲基-5-苯基-4-咪唑啉酮 、 三氯乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Enantioselective Formation of 3-Substituted Indolinoazepines via Organocatalyzed Conjugate Addition of Indoloazepines to Propargyl Aldehyde

  摘要：

  An enantioselective Michael addition has been developed to give 3-substituted indolinoazepines by using indoloazepines as nucleophiles and propargyl aldehyde as electrophile under the promotion of a combination of a chiral secondary amine and trichloro acetic acid. By following the optimized protocol, a library of chiral indolinoazepines with a different substitution pattern was obtained in good to excellent yields and excellent enantioselectivities.

  DOI：

  10.1021/cs5015496
• 作为产物：
  描述：

  3,4-二氟苯甲酰氯 、 ethyl 1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate 生成 1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Azepinoindole derivatives as pharmaceutical agents

  摘要：

  提供了调节受体活性的化合物、组合物和方法。特别地，提供了调节受体活性的化合物和组合物，以及用于治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或障碍的症状的方法。

  公开号：

  US20050054634A1

文献信息

• [EN] AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS<br/>[FR] DERIVES D'AZEPINOINDOLE ET DE PYRIDOINDOLE UTILISES COMME AGENTS PHARMACEUTIQUES
  申请人：X CEPTOR THERAPEUTICS INC

  公开号：WO2003099821A1

  公开（公告）日：2003-12-04

  The present invention is directed to compounds of formula (I) and formula (II): formula (I) and (II), wherein R1-R8, A and n are as described in the description. These compounds are used in pharmaceutical compositions and methods for modulating the activity of orphan nuclear receptors.

  本发明涉及化合物的公式（I）和公式（II）：公式（I）和（II），其中R1-R8，A和n如描述中所述。这些化合物用于制备药物组合物，并用于调节孤儿核受体的活性的方法。
• Azepinoindole and pyridoindole derivatives as pharmaceutical agents
  申请人：X-Ceptor Therapeutics Inc.

  公开号：US20040023947A1

  公开（公告）日：2004-02-05

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  提供了调节受体活性的化合物、组合物和方法。特别提供了用于调节受体活性和治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或障碍症状的化合物和组合物。
• Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents
  申请人：Martin Richard

  公开号：US20090326218A1

  公开（公告）日：2009-12-31

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  本发明提供了用于调节受体活性的化合物、组合物和方法。特别提供了用于调节受体活性的化合物和组合物，以及用于治疗、预防或缓解与受体活性直接或间接相关的一种或多种疾病或障碍的症状的方法。
• Azepinoindole Derivatives As Pharmaceutical Agents
  申请人：Busch Brett

  公开号：US20100173824A1

  公开（公告）日：2010-07-08

  Compounds, compositions and methods for modulating the activity of receptors are provided. In particular, compounds and compositions are provided for modulating the activity of receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder directly or indirectly related to the activity of the receptors.

  本文提供了调节受体活性的化合物、组合物和方法。特别地，提供了用于调节受体活性以及治疗、预防或改善与受体活性直接或间接相关的一种或多种疾病或障碍症状的化合物和组合物。
• Pyrrolo(2,3-d)carbazole derivatives, preparation thereof and their therapeutical use
  申请人：OMNICHEM Société anonyme

  公开号：EP0064317A2

  公开（公告）日：1982-11-10

  This invention relates to novel alkyl pyrrolo (2,3-d) carbazole-6-carboxylates and to addition salts thereof; and to preparation of the same by a synthesis sequence starting from a tryptamine and a 3-halopyruvate and involving a rearrangement of an addition compound with an aldehyde, said rearrangement being effected by Nb-alkylation of the aforementioned addition compound; and to pharmaceutical compositions containing the same; and to novel tetrahy- droazepinoindoles used in the preparation of the same.

  本发明涉及新型烷基吡咯并(2,3-d)咔唑-6-羧酸盐及其加成盐；涉及以色胺和 3-卤代丙酮酸为起始原料，通过加成化合物与醛的重排（所述重排是通过上述加成化合物的 Nb-烷基化实现的）的合成顺序制备上述物质；涉及含有上述物质的药物组合物；还涉及用于制备上述物质的新型四- droazepinoindoles。