1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]ethanone | 1177325-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]ethanone
• 英文别名: 1-[1-(2-fluorophenyl)pyrazol-4-yl]ethanone
• CAS: 1177325-28-8
• 化学式: C₁₁H₉FN₂O
• mdl: MFCD09864212
• 分子量: 204.204
• InChiKey: RQMCSNHFBPOONB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]ethanone 在 sodium tetrahydroborate 作用下， 生成 1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]ethanol
  参考文献：
  名称：

  Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules

  摘要：

  调节与转导蛋白1（TBL1）活性相关的疾病和紊乱的组合物和方法，包括但不限于癌症、炎症和与骨骼相关的疾病。

  公开号：

  US20130123281A1

文献信息

• BICYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS
  申请人：CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

  公开号：US20180170938A1

  公开（公告）日：2018-06-21

  The present invention relates to 1,3-disubstituted-1H-pyrazolo[3,4-d]pyrimidin-4-amine derivatives, 5,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives or 5,7-disubstituted-imidazo[5,1-f][1,2,4]triazine-4-amine derivatives, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compounds, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjôgren's Syndrome, and other CFTR associated disorders.

  本发明涉及1,3-二取代-1H-吡唑并[3,4-d]嘧啶-4-胺衍生物，5,7-二取代-吡咯并[2,1-f][1,2,4]三嗪-4-胺衍生物或5,7-二取代-咪唑并[5,1-f][1,2,4]三嗪-4-胺衍生物，以及其药学上可接受的盐。这些化合物是囊性纤维化跨膜传导调节蛋白（CFTR）的增效剂。该发明还揭示了包括这些化合物的药物组合物，可选地与额外的治疗剂联合使用，以及通过给予这些化合物来增强哺乳动物，包括人类，CFTR的方法。这些化合物对于囊性纤维化（CF）、哮喘、支气管扩张、慢性阻塞性肺病（COPD）、便秘、糖尿病、干眼病、胰腺炎、鼻窦炎、Sjôgren综合征和其他CFTR相关疾病的治疗是有用的。
• Bicyclic heteroaryl derivatives as CFTR potentiators
  申请人：CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

  公开号：US10131670B2

  公开（公告）日：2018-11-20

  The present invention relates to 1,3-disubstituted-1H-pyrazolo[3,4-d]pyrimidin-4-amine derivatives, 5,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives or 5,7-disubstituted-imidazo[5,1-f][1,2,4]triazine-4-amine derivatives, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compounds, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjögren's Syndrome, and other CFTR associated disorders.

  本发明涉及 1,3-二取代-1H-吡唑并[3,4-d]嘧啶-4-胺衍生物、5,7-二取代-吡咯并[2,1-f][1,2,4]三嗪-4-胺衍生物或 5,7-二取代-咪唑并[5,1-f][1,2,4]三嗪-4-胺衍生物及其药学上可接受的盐类。这些化合物是囊性纤维化跨膜传导调节器（CFTR）的增效剂。本发明还公开了包含这些化合物的药物组合物（可选择与其他治疗剂结合使用），以及通过施用这些化合物增强哺乳动物（包括人类）CFTR 的方法。这些化合物可用于治疗囊性纤维化 (CF)、哮喘、支气管扩张、慢性阻塞性肺病 (COPD)、便秘、糖尿病、干眼症、胰腺炎、鼻炎、斯约格伦综合征和其他 CFTR 相关疾病。
• BYCYCLIC HETEROARYL DERIVATIVES AS CFTR POTENTIATORS
  申请人：Cystic Fibrosis Foundation

  公开号：EP3554506B1

  公开（公告）日：2021-04-28
• [EN] COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR L'INHIBITION DE LA LIAISON DE LA TBL-1 À DES MOLÉCULES ASSOCIÉES À UNE MALADIE
  申请人：BETA CAT PHARMACEUTICALS LLC

  公开号：WO2013071232A1

  公开（公告）日：2013-05-16

  Compositions and methods which modulate diseases and disorders related to transducin β-like protein 1 (TBL1) activity, including but not limited to cancer, inflammation, and bone related diseases.
• Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules
  申请人：Vankayalapati Hariprasad M.

  公开号：US20130123281A1

  公开（公告）日：2013-05-16

  Compositions and methods which modulate diseases and disorders related to transducin β-like protein 1 (TBL1) activity, including but not limited to cancer, inflammation, and bone related diseases.

  调节与转导蛋白1（TBL1）活性相关的疾病和紊乱的组合物和方法，包括但不限于癌症、炎症和与骨骼相关的疾病。