8-(3,3-dimethyl-ureido)-3-(4-fluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester | 629663-36-1

• 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
• 英文名称: 8-(3,3-dimethyl-ureido)-3-(4-fluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 8-(dimethylcarbamoylamino)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
• CAS: 629663-36-1
• 化学式: C₂₇H₂₉FN₄O₄
• 分子量: 492.55
• InChiKey: UHOMGKRAIAZBDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-methylamino-3-(4-fluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester 生成 8-(3,3-dimethyl-ureido)-3-(4-fluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Azepinoindole derivatives as pharmaceutical agents

  摘要：

  提供了用于调节受体活性的化合物、组合物和方法。具体来说，提供了用于调节受体活性以及用于治疗、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紊乱症状的化合物和组合物。

  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。
• Phenyl derivatives as factor XA Inhibitors
  申请人：——

  公开号：US20040235828A1

  公开（公告）日：2004-11-25

  Novel compounds of the formula (I), in which D, W, X, Y, T and R 1 are as defined in Patent Claim 1 , are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  公式（I）的新型化合物，其中D、W、X、Y、T和R1的定义如专利权利要求书1所述，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞病和肿瘤的治疗。
• 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。
• 1-[(4-Ethynylphenyl)]-2-[(phenyl)]-pyrrolidine-1,2-dicarboxamide derivatives as inhibitors of coagulation factors xa and viia for the treatment of thromboses
  申请人：Mederski Werner

  公开号：US20070093472A1

  公开（公告）日：2007-04-26

  Novel compounds of the formula (I), in which R, R 1 , R 2 and R 3 are as defined in Patent Claim 1 , are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  式（I）的新化合物，其中R、R1、R2和R3如专利权利要求书1所定义，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞性疾病和肿瘤的治疗。
• 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。