5-氯吲哚-7-羧酸甲酯 | 1238214-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-氯吲哚-7-羧酸甲酯
• 英文名称: methyl 5-chloro-1H-indole-7-carboxylate
• 英文别名: Methyl 5-chloro-1H-indole-7-carboxylate
• CAS: 1238214-63-5
• 化学式: C₁₀H₈ClNO₂
• 分子量: 209.632
• InChiKey: NRHVYJRAVVKLBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-氯吲哚-7-羧酸甲酯 、 3-氯苄溴 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery of 4-{1-[({1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl}carbonyl)amino]cyclopropyl}benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain

  摘要：

  The discovery of a highly potent and selective EP(4) antagonist MF-766 is discussed. This N-benzyl indole derivative exhibits good pharmacokinetic profile and unprecedented in vivo potency in the rat AIA model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.065
• 作为产物：
  描述：

  7-溴-5-氯吲哚 在 三乙胺 作用下， 以70.7%的产率得到5-氯吲哚-7-羧酸甲酯
  参考文献：
  名称：

  COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF

  摘要：

  一种具有式（I）的化合物，其制备方法，含有其衍生物的药物组合物，以及其治疗用途，特别是抑制PGE2/EP4信号传导及其用于治疗癌症、急性或慢性疼痛、偏头痛、骨关节炎、类风湿性关节炎、痛风、滑囊炎、强直性脊柱炎、原发性痛经、肿瘤或动脉硬化的用途。

  公开号：

  US20220064113A1

文献信息

• [EN] BICYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS BICYCLIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：TEMPEST THERAPEUTICS INC

  公开号：WO2018195123A1

  公开（公告）日：2018-10-25

  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.

  本公开涉及一种新型化合物I的化学式及其药用可接受的盐、溶剂化合物、盐的溶剂化合物和前药，用于预防（例如，延迟发病或减少发展风险）和治疗（例如，控制、缓解或减缓进展）癌症，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，可用于治疗多种疾病，这些疾病可能通过阻断PGE2介导的信号传导而得到缓解。
• 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。
• [EN] COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF<br/>[FR] COMPOSÉ INHIBANT LA TRANSDUCTION DU SIGNAL PGE2/EP4, SON PROCÉDÉ DE PRÉPARATION ET SES APPLICATIONS THÉRAPEUTIQUES<br/>[ZH] 抑制PGE2/EP4信号传导的化合物、其制备方法及其在医药上的应用
  申请人：CAMPHOR PHARMACEUTICALS LTD

  公开号：WO2020151566A1

  公开（公告）日：2020-07-30

  一种通式(I)所示的化合物、其制备方法及含有该衍生物的药物组合物以及其作为治疗剂，特别是作为PGE2/EP4信号传导抑制剂的用途以及用于治疗癌症、急性或慢性疼痛、偏头痛、骨关节炎、类风湿性关节炎、痛风、粘液囊炎、强直性脊柱炎、原发性痛经、癌症或动脉硬化症的用途。
• BICYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Tempest Therapeutics, Inc.

  公开号：EP3612517A1

  公开（公告）日：2020-02-26