2-(3-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}phenyl)propan-2-ol | 854772-92-2

• 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: 2-(3-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}phenyl)propan-2-ol
• 英文别名: Biarylether alcohol quinoline, 5b；2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol
• CAS: 854772-92-2
• 化学式: C₃₂H₂₆F₃NO₂
• 分子量: 513.559
• InChiKey: AIZFRFCHCJRXFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 3-{3-[3-benzyl-8-(trifluoro-methyl)quinolin-4-yl]phenoxy}benzoate 、 甲基溴化镁 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以82%的产率得到2-(3-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}phenyl)propan-2-ol
  参考文献：
  名称：

  4-(3-Aryloxyaryl)quinoline alcohols are liver X receptor agonists

  摘要：

  A series of 4-(3-aryloxyaryl)quinolines with alcohol substituents on the terminal aryl ring was prepared as potential LXR agonists, in which an alcohol group replaced an amide in previously reported amide analogs. High affinity LXR ligands with excellent agonist potency and efficacy in a functional model of LXR activity were identified, demonstrating that alcohols can substitute for amides while retaining LXR activity. The most potent compound was 5b which had an IC50 = 3.3 nM for LXR beta binding and EC50 = 12 nM (122% efficacy relative to T0901317) in an ABCA1 mRNA induction assay in J774 mouse cells. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.001

文献信息

• Quinolines useful in treating cardiovascular disease
  申请人：Collini D. Michael

  公开号：US20050131014A1

  公开（公告）日：2005-06-16

  This invention provides compounds of formula I that are useful in the treatment or inhibition of LXR mediated diseases.

  本发明提供了式I化合物的用途，它们在治疗或抑制LXR介导的疾病中是有用的。
• Treatment and diagnosis of melanoma
  申请人：The Rockefeller University

  公开号：US10543183B2

  公开（公告）日：2020-01-28

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.

  本发明公开了用于诊断和治疗黑色素瘤的新型制剂和方法。还公开了相关的阵列、试剂盒和筛选方法。
• QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE
  申请人：Wyeth, A Corporation of the State of Delaware

  公开号：EP1692111A2

  公开（公告）日：2006-08-23
• JP2007516258A
  申请人：——

  公开号：JP2007516258A

  公开（公告）日：2007-06-21
• TREATMENT OF DRUG RESISTANT CANCER
  申请人：ROCKEFELLER UNIVERSITY (THE)

  公开号：US20150073053A1

  公开（公告）日：2015-03-12

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.