5-fluoro-1-[4-trifluoromethyl-benzyl]-1H-indole-7-carboxylic acid | 1050656-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-fluoro-1-[4-trifluoromethyl-benzyl]-1H-indole-7-carboxylic acid
• 英文别名: 5-fluoro-1-[4-(trifluoromethyl)benzyl]-1H-indole-7-carboxylic acid；5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxylic acid
• CAS: 1050656-47-7
• 化学式: C₁₇H₁₁F₄NO₂
• 分子量: 337.273
• InChiKey: PPOIVTPFUZDHJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-fluoro-1-[4-trifluoromethyl-benzyl]-1H-indole-7-carboxylic acid 在 甲醇 、 氢氧化钾 、 水 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 4-{1-[({5-fluoro-1-[4-trifluoromethyl-benzyl]-1H-indol-7-yl}carbonyl)amino]cyclopropyl}benzoic acid
  参考文献：
  名称：

  WO2008/104055

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴-4-氟-1-硝基苯 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.91h， 生成 5-fluoro-1-[4-trifluoromethyl-benzyl]-1H-indole-7-carboxylic acid
  参考文献：
  名称：

  WO2008/104055

  摘要：

  公开号：

文献信息

• INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS
  申请人：Boyd Michael

  公开号：US20090318518A1

  公开（公告）日：2009-12-24

  The invention is directed to indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoid arthritis and cancer. Pharmaceutical compositions and methods of use are also included.

  该发明涉及吲哚和吲哚啉环丙基酰胺衍生物作为EP4受体拮抗剂，用于治疗EP4介导的疾病或病症，例如急性和慢性疼痛、骨关节炎、类风湿性关节炎和癌症。还包括制药组合物和使用方法。
• Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists
  申请人：Merck Canada Inc.

  公开号：US08158671B2

  公开（公告）日：2012-04-17

  The invention is directed to indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoid arthritis and cancer. Pharmaceutical compositions and methods of use are also included.

  该发明涉及吲哚和吲哚啉环丙基酰胺衍生物作为EP4受体拮抗剂，可用于治疗EP4介导的疾病或症状，如急性和慢性疼痛、骨关节炎、类风湿性关节炎和癌症。还包括药物组合物和使用方法。
• Bicyclic compounds and their use in the treatment of cancer
  申请人：Tempest Therapeutics, Inc.

  公开号：US11066405B2

  公开（公告）日：2021-07-20

  The present disclosure is directed to novel compounds of Formula I and pharmaceutically acceptable salts, solvates, solvates of the salt and prodrugs thereof, useful in the prevention (e.g., delaying the onset of or reducing the risk of developing) and treatment (e.g., controlling, alleviating, or slowing the progression of) of cancer, including glioblastoma, bone cancer, head and neck cancer, melanoma, basal cell carcinoma, squamous cell carcinoma, adenocarcinoma, oral cancer, esophageal cancer, gastric cancer, intestinal cancer, colon cancer, bladder cancer, hepatocellular carcinoma, renal cell carcinoma, pancreatic cancer, ovarian cancer, cervical cancer, lung cancer, breast cancer, and prostate cancer. The compounds of the disclosure are selective antagonists of the EP4 receptor and useful treatment of various diseases that may be ameliorated with blockade of PGE2-mediated signaling.

  本公开涉及式 I 的新型化合物及其药学上可接受的盐、溶解物、盐的溶解物和原药，这些化合物在预防（如延迟发病或降低发病风险）和治疗（如、包括胶质母细胞瘤、骨癌、头颈癌、黑色素瘤、基底细胞癌、鳞状细胞癌、腺癌、口腔癌、食管癌、胃癌、肠癌、结肠癌、膀胱癌、肝细胞癌、肾细胞癌、胰腺癌、卵巢癌、宫颈癌、肺癌、乳腺癌和前列腺癌。本公开的化合物是 EP4 受体的选择性拮抗剂，可用于治疗各种可通过阻断 PGE2 介导的信号传导而改善的疾病。
• BICYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Tempest Therapeutics, Inc.

  公开号：US20200283438A1

  公开（公告）日：2020-09-10

  The present disclosure is directed to novel compounds of Formula I and pharmaceutically acceptable salts, solvates, solvates of the salt and prodrugs thereof, useful in the prevention (e.g., delaying the onset of or reducing the risk of developing) and treatment (e.g., controlling, alleviating, or slowing the progression of) of cancer, including glioblastoma, bone cancer, head and neck cancer, melanoma, basal cell carcinoma, squamous cell carcinoma, adenocarcinoma, oral cancer, esophageal cancer, gastric cancer, intestinal cancer, colon cancer, bladder cancer, hepatocellular carcinoma, renal cell carcinoma, pancreatic cancer, ovarian cancer, cervical cancer, lung cancer, breast cancer, and prostate cancer. The compounds of the disclosure are selective antagonists of the EP4 receptor and useful treatment of various diseases that may be ameliorated with blockade of PGE2-mediated signaling.
• US8158671B2
  申请人：——

  公开号：US8158671B2

  公开（公告）日：2012-04-17