3-fluoro-N-(2-(2-methyl-1H-indol-1-yl)ethyl)-4-(4-methylpiperazin-1-yl)benzamide | 1416881-57-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-fluoro-N-(2-(2-methyl-1H-indol-1-yl)ethyl)-4-(4-methylpiperazin-1-yl)benzamide
• 英文别名: 3-fluoro-N-[2-(2-methylindol-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
• CAS: 1416881-57-6
• 化学式: C₂₃H₂₇FN₄O
• 分子量: 394.492
• InChiKey: BVZKEHBBWRYNMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氟-4-(4-甲基-1-哌嗪基)苯甲酸 、 [2-(2-甲基-1H-吲哚-1-基)乙基]胺 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以80%的产率得到3-fluoro-N-(2-(2-methyl-1H-indol-1-yl)ethyl)-4-(4-methylpiperazin-1-yl)benzamide
  参考文献：
  名称：

  [EN] PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO
  [FR] ANTAGONISTES DU RÉCEPTEUR EP2 DES PROSTAGLANDINES, DÉRIVÉS, COMPOSITIONS ET UTILISATIONS ASSOCIÉS

  摘要：

  本公开涉及前列腺素受体EP2拮抗剂、衍生物、组合物及相关方法。在某些实施例中，本公开涉及通过向需要治疗或预防EP2受体激活在生理作用中的疾病和病症的受试者投予含有本文所披露的化合物的药物组合物来治疗或预防这些疾病和病症，这些疾病和病症包括但不限于脑损伤、炎症性疾病、癫痫后的神经炎症、疼痛、子宫内膜异位症、癌症、类风湿性关节炎、皮肤炎症、血管炎症、结肠炎和神经系统疾病。

  公开号：

  WO2012177618A1

文献信息

• [EN] PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO<br/>[FR] ANTAGONISTES DU RÉCEPTEUR EP2 DES PROSTAGLANDINES, DÉRIVÉS, COMPOSITIONS ET UTILISATIONS ASSOCIÉS
  申请人：UNIV EMORY

  公开号：WO2012177618A1

  公开（公告）日：2012-12-27

  The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflamation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.

  本公开涉及前列腺素受体EP2拮抗剂、衍生物、组合物及相关方法。在某些实施例中，本公开涉及通过向需要治疗或预防EP2受体激活在生理作用中的疾病和病症的受试者投予含有本文所披露的化合物的药物组合物来治疗或预防这些疾病和病症，这些疾病和病症包括但不限于脑损伤、炎症性疾病、癫痫后的神经炎症、疼痛、子宫内膜异位症、癌症、类风湿性关节炎、皮肤炎症、血管炎症、结肠炎和神经系统疾病。
• PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO
  申请人：Jiang Jianxiong

  公开号：US20140179750A1

  公开（公告）日：2014-06-26

  The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflammation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.

  本公开涉及前列腺素受体EP2拮抗剂、衍生物、组合物及相关方法。在某些实施例中，本公开涉及通过向需要治疗或预防EP2受体激活在生理作用中的疾病和病症，例如但不限于脑损伤、炎症性疾病、癫痫后神经炎症、疼痛、子宫内膜异位症、癌症、类风湿性关节炎、皮肤炎症、血管炎症、结肠炎和神经系统疾病的受试者中，通过给予含有本文所披露的化合物的制药组合物来进行治疗的方法。
• Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto
  申请人：Emory University

  公开号：US10040783B2

  公开（公告）日：2018-08-07

  The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflammation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.

  本公开涉及前列腺素受体EP2拮抗剂、衍生物、组合物及其相关方法。在某些实施方案中，本公开涉及通过向有需要的受试者施用包含本文公开的化合物的药物组合物来治疗或预防 EP2 受体激活具有生理作用的病症和疾病的方法，这些病症和疾病包括但不限于脑损伤、炎症性疾病、癫痫发作后的神经炎症、疼痛、子宫内膜异位症、癌症、类风湿性关节炎、皮肤炎症、血管炎症、结肠炎和神经系统疾病。
• Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto
  申请人：Emory University

  公开号：US20170081314A1

  公开（公告）日：2017-03-23

  The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflammation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.
• US9518044B2
  申请人：——

  公开号：US9518044B2

  公开（公告）日：2016-12-13