1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
• 英文别名: 1-[3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• 化学式: C₃₁H₃₅N₃O₃
• mdl: MFCD02089322
• 分子量: 497.6
• InChiKey: FAHCSUHPPAUHAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  58.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Compositions and methods for the treatment of disease associated with Trp-p8 expression
  申请人：Natarajan K. Sateesh

  公开号：US20050054651A1

  公开（公告）日：2005-03-10

  Provided are small-molecule Trp-p8 modulators, including Trp-p8 agonists and Trp-p8 antagonists, and compositions comprising small-molecule Trp-p8 agonists as well as methods for identifying and characterizing novel small-molecule Trp-p8 modulators and methods for decreasing viability and/or inhibiting growth of Trp-p8 expressing cells, methods for activating Trp-p8-mediated cation influx, methods for stimulating apoptosis and/or necrosis, and related methods for the treatment of diseases, including cancers such as lung, breast, colon, and/or prostate cancers as well as other diseases, such as benign prostatic hyperplasia, that are associated with Trp-p8 expression.

  提供了小分子Trp-p8调节剂，包括Trp-p8激动剂和Trp-p8拮抗剂，以及包含小分子Trp-p8激动剂的组合物，以及用于识别和表征新型小分子Trp-p8调节剂的方法，以及用于降低Trp-p8表达细胞的存活能力和/或抑制生长的方法，用于激活Trp-p8介导的阳离子流入的方法，用于刺激凋亡和/或坏死的方法，以及用于治疗疾病的相关方法，包括肺癌、乳腺癌、结肠癌和/或前列腺癌等癌症，以及与Trp-p8表达相关的其他疾病，如良性前列腺增生。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION
  申请人：Natarajan Sateesh K.

  公开号：US20120094977A1

  公开（公告）日：2012-04-19

  Provided are small-molecule Trp-p8 modulators, including Trp-p8 agonists and Trp-p8 antagonists, and compositions comprising small-molecule Trp-p8 agonists as well as methods for identifying and characterizing novel small-molecule Trp-p8 modulators and methods for decreasing viability and/or inhibiting growth of Trp-p8 expressing cells, methods for activating Trp-p8-mediated cation influx, methods for stimulating apoptosis and/or necrosis, and related methods for the treatment of diseases, including cancers such as lung, breast, colon, and/or prostate cancers as well as other diseases, such as benign prostatic hyperplasia, that are associated with Trp-p8 expression.

  提供了小分子Trp-p8调节剂，包括Trp-p8激动剂和Trp-p8拮抗剂，以及包含小分子Trp-p8激动剂的组合物，以及用于识别和表征新型小分子Trp-p8调节剂的方法，以及用于降低Trp-p8表达细胞的存活率和/或抑制生长的方法，用于激活Trp-p8介导的阳离子流入的方法，用于刺激凋亡和/或坏死的方法，以及相关的治疗疾病的方法，包括肺癌、乳腺癌、结肠癌和/或前列腺癌等癌症，以及与Trp-p8表达相关的其他疾病，例如良性前列腺增生等。
• EP1663962A4
  申请人：——

  公开号：EP1663962A4

  公开（公告）日：2007-08-22
• JP2007503392A
  申请人：——

  公开号：JP2007503392A

  公开（公告）日：2007-02-22
• US8389730B2
  申请人：——

  公开号：US8389730B2

  公开（公告）日：2013-03-05