3-bromo-5-methyl-2-(trifluoromethyl)pyridine | 1211589-25-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-bromo-5-methyl-2-(trifluoromethyl)pyridine
• 英文别名: 3-Bromo-5-methyl-2-(trifluoromethyl)pyridine
• CAS: 1211589-25-1
• 化学式: C₇H₅BrF₃N
• 分子量: 240.023
• InChiKey: DUPVTQSCCKBORM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-bromo-5-methyl-2-(trifluoromethyl)pyridine 、 (S)-N-(2,2-difluoro-1-(5-fluoro-1-neopentyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl)ethyl)cyclopropanesulfonamide 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 (S)-N-(2,2-difluoro-1-(5-fluoro-6-(6-methyl-2-(trifluoromethyl)pyridin-3-yl)-1-neopentyl-1H-indol-3-yl)ethyl)cyclopropanesulfonamide
  参考文献：
  名称：

  [EN] REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS
  [FR] AGONISTES REV-ERB POUR DES TROUBLES INFLAMMATOIRES À MÉDIATION PAR TH17

  摘要：

  The present disclosure provides compounds and their pharmaceutical compositions as selective agonists of REV-ERBα. The compounds are useful in various methods and uses, such as in the treatment of diseases including hyperglycemia, dyslipidemia, atherosclerosis, and autoimmune and inflammatory disorders or diseases, and as cancer therapeutics, such as for the treatment of glioblastoma, hepatocellular carcinoma, and colorectal cancer, and for immune-oncology purposes.

  公开号：

  WO2023122093A1

文献信息

• [EN] REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS<br/>[FR] AGONISTES REV-ERB POUR DES TROUBLES INFLAMMATOIRES À MÉDIATION PAR TH17
  申请人：[en]UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED

  公开号：WO2023122093A1

  公开（公告）日：2023-06-29

  The present disclosure provides compounds and their pharmaceutical compositions as selective agonists of REV-ERBα. The compounds are useful in various methods and uses, such as in the treatment of diseases including hyperglycemia, dyslipidemia, atherosclerosis, and autoimmune and inflammatory disorders or diseases, and as cancer therapeutics, such as for the treatment of glioblastoma, hepatocellular carcinoma, and colorectal cancer, and for immune-oncology purposes.