6-chlorobenzofuran-5-ol | 1417804-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6-chlorobenzofuran-5-ol
• 英文别名: 6-Chloro-1-benzofuran-5-ol
• CAS: 1417804-61-5
• 化学式: C₈H₅ClO₂
• 分子量: 168.579
• InChiKey: FUUBOMTXABVLQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  259.2±20.0 °C(Predicted)
• 密度：
  1.444±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-chlorobenzofuran-5-ol 、 4-氯烟酸乙酯盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到ethyl 4-(6-chlorobenzofuran-5-yloxy)nicotinate
  参考文献：
  名称：

  4-Benzofuranyloxynicotinamide derivatives are novel potent and orally available TGR5 agonists

  摘要：

  A series of 4-benzofuranyloxynicotinamide derivatives were identified to be novel, potent, and orally available TGR5 agonists. Among them, compound 9r had the highest potency in vitro (hTGR5 EC50 = 0.28 nM, mTGR5 EC50 = 0.92 nM). Further in vivo studies disclosed that 9r could effectively lower the blood glucose, but meantime caused an increase in the gallbladder volume of mice. Subsequent research toward eliminating the gallbladder toxicity resulted in compound 19 with low permeability. Although the EC50 of mTGR5 of 19 was larger one order than that of 9r, it still had good glucose-lowing activity. Nevertheless, 19 also caused the adverse effects to the gallbladder. The drug levels detection disclosed that the concentration of 19 was only lower than that of 9r in plasma but was higher in bile and gallbladder tissue. This result indicated that low exposure in plasma could not guarantee low exposure in bile and gallbladder tissue, and thus resulting in the gallbladder toxicity of 19. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.031

文献信息

• [EN] COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME<br/>[FR] COMPOSÉ ET ÉLÉMENT ÉLECTROLUMINESCENT ORGANIQUE LE COMPRENANT<br/>[KO] 화합물 및 이를 포함하는 유기 발광 소자
  申请人：[en]LG CHEM, LTD.;[ko]주식회사 엘지화학

  公开号：WO2024010167A1

  公开（公告）日：2024-01-11

  본 명세서는 화학식 1의 화합물 및 이를 포함하는 유기 발광 소자에 관한 것이다.