3-[2-[(4-Chlorophenyl)methyl]-5-cyanobenzimidazol-1-yl]benzoic acid | 1106941-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3-[2-[(4-Chlorophenyl)methyl]-5-cyanobenzimidazol-1-yl]benzoic acid
• CAS: 1106941-71-2
• 化学式: C₂₂H₁₄ClN₃O₂
• 分子量: 387.825
• InChiKey: ZFUMWXUBISJRFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER
  申请人：Furutani Takashi

  公开号：US20110282066A1

  公开（公告）日：2011-11-17

  [Object] A screening method for a compound which is useful as an agent for treating 17βHSD type 5-related diseases and/or an agent for treating 17βHSD type 5-related cancer such as prostate cancer is provided. [Means for Solution] The present invention has been completed by establishing a screening method for a compound which is useful for treating 17βHSD type 5-related diseases, by manifesting a tumor by transplanting tumor cells to, for example, an immunodeficient mouse, topically administering a steroid which is a biosynthetic substance for a hormone into the tumor, and measuring the level of a hormone produced in the tumor. [Selected Figure] None

  【对象】提供一种筛选方法，用于筛选可用于治疗17βHSD型5相关疾病和/或治疗17βHSD型5相关癌症，例如前列腺癌的药物化合物。 【解决方案手段】本发明通过建立一种筛选方法，该方法可用于治疗17βHSD型5相关疾病的化合物，例如通过将肿瘤细胞移植到例如免疫缺陷小鼠中，局部给予合成激素的类固醇药物，并测量在肿瘤中产生的激素水平，来表现肿瘤。 【选定图】无。
• BENZIMIDAZOLE DERIVATIVE
  申请人：Kakefuda Akio

  公开号：US20100190826A1

  公开（公告）日：2010-07-29

  Provided is a novel and excellent method for treating and/or preventing benign prostatic hyperplasia, prostate cancer, and the like based on selective inhibitory activity against 17βHSD type 5. It was found that an indole or benzimidazole derivative, where a nitrogen atom of the indole ring or benzimidazole ring is substituted with a phenyl group substituted with COOH, has a potent selective inhibitory activity against 17βHSD type 5 and may become an agent for treating and/or an agent for preventing a disease associated with 17βHSD type 5, such as benign prostatic hyperplasia, prostate cancer and the like, without accompanying adverse effects due to a decrease in testosterone; and the present invention has thus been completed.

  提供了一种治疗和/或预防良性前列腺增生、前列腺癌等疾病的新颖和优异方法，该方法基于对17βHSD type 5的选择性抑制活性。发现一种吲哚或苯并咪唑衍生物，其中吲哚环或苯并咪唑环的氮原子被取代为一个带有COOH的苯基，具有强大的17βHSD type 5的选择性抑制活性，并可以成为治疗和/或预防与17βHSD type 5相关的疾病，如良性前列腺增生、前列腺癌等的药物，而不伴随着睾酮降低引起的不良影响；因此，本发明得以完成。