6-chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-β-carboline | 875052-51-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 6-chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-β-carboline
• 英文别名: 6-Chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-beta-carboline；1-[6-chloro-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenylpropan-1-one
• CAS: 875052-51-0
• 化学式: C₂₇H₂₅ClN₂O
• 分子量: 428.961
• InChiKey: VQGQJBNCAQWQGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  655.1±55.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  36.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-β-carboline 生成 (1S)-6-chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-β-carboline
  参考文献：
  名称：

  [EN] USEFUL COMPOUNDS FOR HPV INFECTION
  [FR] COMPOSÉS UTILES POUR L'INFECTION PAR HPV

  摘要：

  本发明涉及一种在治疗人类乳头瘤病毒方面有用的化合物，以及制备和使用这种化合物的方法。

  公开号：

  WO2006015035A1
• 作为产物：
  描述：

  6-chloro-1-(4-methylphenyl)-2,3,4,4a,9,9a-hexahydro-1H-b-carboline hydrochloride 、 3-苯丙酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到6-chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-β-carboline
  参考文献：
  名称：

  Substituted tetrahydro-β-carbolines as potential agents for the treatment of human papillomavirus infection

  摘要：

  The identification and optimization of a series of substituted tetrahydro-beta-carbolines with potent activity against human papillomavirus is described. Structure-activity studies focused on the substitution pattern and chirality of the beta-carboline ring system are discussed. Optimization of these parameters led to compounds with antiviral activities in the low nanomolar range. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.123

文献信息

• USEFUL COMPOUNDS FOR HPV INFECTION
  申请人：Gudmundsson Kristjan

  公开号：US20080103164A1

  公开（公告）日：2008-05-01

  The present invention relates to compounds that are useful in the treatment of human papillomaviruses, and also to the methods for the making and use of such compounds.

  本发明涉及到对人类乳头瘤病毒有用的化合物，以及制备和使用这些化合物的方法。
• METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS
  申请人：Almstead Neil

  公开号：US20120202763A1

  公开（公告）日：2012-08-09

  Compounds that selectively inhibit pathological production of human vascular endothelial growth factor (VEGF) and compositions comprising such Compounds are described. Compounds that inhibit viral replication or the production of viral RNA or DNA or viral protein and compositions comprising such Compounds are described. Also described are methods of reducing VEGF using such Compounds and methods for treating cancer and non-neoplastic conditions involving the administration of such Compounds. Further described are methods of inhibiting viral replication or the production of viral RNA or DNA or viral protein using such Compounds and methods for treating viral infections involving the administration of such Compounds. The Compounds may be administered as a single agent therapy or in combination with one or more additional therapies to a human in need of such treatments.

  本文介绍了选择性抑制人类血管内皮生长因子（VEGF）病理性产生的化合物以及包含这些化合物的组合物。本文还介绍了抑制病毒复制或病毒RNA或DNA或病毒蛋白质产生的化合物以及包含这些化合物的组合物。同时，本文还介绍了使用这些化合物减少VEGF的方法以及使用这些化合物治疗癌症和非肿瘤性疾病的方法。本文还介绍了使用这些化合物抑制病毒复制或病毒RNA或DNA或病毒蛋白质产生的方法以及使用这些化合物治疗病毒感染的方法。这些化合物可以作为单一治疗剂或与一个或多个其他治疗剂联合使用，用于治疗需要这些治疗的人类。
• WO2007/2051
  申请人：——

  公开号：——

  公开（公告）日：——
• METHODS FOR TREATING NEUROFIBROMATOSIS
  申请人：Cao Liangxian

  公开号：US20120157401A1

  公开（公告）日：2012-06-21

  Methods for treating neurofibromatosis involving the administration of a compound that selectively inhibits pathological production of human VEGF are described. The compound can be administered as a single-agent therapy or in combination with one or more additional therapies to a human in need of such treatment.
• METHODS FOR TREATING KAPOSI SARCOMA
  申请人：Cao Liangxian

  公开号：US20120157400A1

  公开（公告）日：2012-06-21

  Methods for treating Kaposi's sarcoma involving the administration of a compound that selectively inhibits pathological production of human VEGF are described. The compound can be administered as a single-agent therapy or in combination with one or more additional therapies to a human in need of such treatment.