3-(2,6-Dichlorophenyl)-5-isopropyl-4-((4-methylquinolin-2-yloxy)methyl)isoxazole | 1245613-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-(2,6-Dichlorophenyl)-5-isopropyl-4-((4-methylquinolin-2-yloxy)methyl)isoxazole
• 英文别名: 3-(2,6-dichlorophenyl)-4-[(4-methylquinolin-2-yl)oxymethyl]-5-propan-2-yl-1,2-oxazole
• CAS: 1245613-56-2
• 化学式: C₂₃H₂₀Cl₂N₂O₂
• 分子量: 427.33
• InChiKey: CLSDNTMQFXWGPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  48.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲基-2-氯-喹啉 、 [3-(2,6-二氯苯基)-5-异丙基异恶唑-4-基]甲醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以70%的产率得到3-(2,6-Dichlorophenyl)-5-isopropyl-4-((4-methylquinolin-2-yloxy)methyl)isoxazole
  参考文献：
  名称：

  Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists

  摘要：

  To overcome the known liabilities of GW4064 a series of analogs were synthesized where the stilbene double bond is replaced by an oxymethylene or amino-methylene linker connecting a terminal benzoic acid with a substituted heteroaryl in the middle ring position. As a result we discovered compounds with increased potency in vitro that cause dose-dependent reduction of plasma triglycerides and cholesterol in db/db mice down to 2 x 1 mg/kg/day upon oral administration. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.084

文献信息

• Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists
  作者：Ulrich Abel、Thomas Schlüter、Andreas Schulz、Eva Hambruch、Christoph Steeneck、Martin Hornberger、Thomas Hoffmann、Sanja Perović-Ottstadt、Olaf Kinzel、Michael Burnet、Ulrich Deuschle、Claus Kremoser

  DOI：10.1016/j.bmcl.2010.06.084

  日期：2010.8

  To overcome the known liabilities of GW4064 a series of analogs were synthesized where the stilbene double bond is replaced by an oxymethylene or amino-methylene linker connecting a terminal benzoic acid with a substituted heteroaryl in the middle ring position. As a result we discovered compounds with increased potency in vitro that cause dose-dependent reduction of plasma triglycerides and cholesterol in db/db mice down to 2 x 1 mg/kg/day upon oral administration. (c) 2010 Elsevier Ltd. All rights reserved.