3-methyl-2-{4-[5-(methylsulfonyl)pyridin-3-yl]phenyl}-5-(trifluoromethyl)quinoxaline | 1225652-76-5

• 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-methyl-2-{4-[5-(methylsulfonyl)pyridin-3-yl]phenyl}-5-(trifluoromethyl)quinoxaline
• 英文别名: 3-Methyl-2-[4-(5-methylsulfonylpyridin-3-yl)phenyl]-5-(trifluoromethyl)quinoxaline
• CAS: 1225652-76-5
• 化学式: C₂₂H₁₆F₃N₃O₂S
• 分子量: 443.449
• InChiKey: DPLOJTBVFSXLRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• QUINOXALINE-BASED LXR MODULATORS
  申请人：Hu Baihua

  公开号：US20100120778A1

  公开（公告）日：2010-05-13

  Disclosed are quinoxaline-based modulators of Liver X receptors (LXRs) and related methods. The modulators include compounds of formula (I): wherein: each of L 1 and L 2 is, independently, a bond, —O— or —NH—; R 2 is C 6 -C 10 aryl or heteroaryl including 5-10 atoms, each of which is (i) substituted with 1 R 9 , and (ii) optionally further substituted with from 1-4 R e ; and each of R 4 and R 5 is, independently (i) hydrogen; or (ii) halo; or (iii) C 1 -C 6 alkyl or C 1 -C 6 haloalkyl, each of which is optionally substituted with from 1-3 R a ; and R 1 , R 3 , R 6 , R 9 , R a and R e are defined herein. In general, these compounds can be used for treating or preventing one or more diseases, disorders, conditions or symptoms mediated by LXRs.

  公开了基于喹诺克的Liver X受体（LXRs）调节剂及相关方法。这些调节剂包括以下式（I）的化合物： 其中： L1和L2分别独立为键，-O-或-NH-； R2是C6-C10的芳基或杂芳基，包括5-10个原子，每个原子（i）带有1个R9基团，和（ii）可选地带有1-4个Re基团； R4和R5分别独立为（i）氢；（ii）卤素；或（iii）C1-C6的烷基或C1-C6的卤代烷基，每个都可选地带有1-3个Ra基团； 以及R1、R3、R6、R9、Ra和Re都在此定义。 一般来说，这些化合物可用于治疗或预防一个或多个由LXRs介导的疾病、失调、状况或症状。
• [EN] QUINOXALINE-BASED LXR MODULATORS<br/>[FR] MODULATEURS DE LXR À BASE DE QUINOXALINE
  申请人：WYETH LLC

  公开号：WO2010054229A1

  公开（公告）日：2010-05-14

  Disclosed are quinoxaline-based modulators of Liver X receptors (LXRs) and related methods. The modulators include compounds of formula (I): wherein: each of L1 and L2 is, independently, a bond, -O- or -NH-; R2 is C6-C10 aryl or heteroaryl including 5-10 ring atoms, each of which is (i) substituted with 1 R9, and (ii) optionally further substituted with from 1-4 Re; and each of R4 and R5 is, independently (i) hydrogen; or (ii) halo; or (iii) C1-C6 alkyl or C1-C6 haloalkyl, each of which is optionally substituted with from 1-3 Ra; and R1, R3, R6, R9, Ra and Re are defined herein. In general, these compounds can be used for treating or preventing one or more diseases, disorders, conditions or symptoms mediated by LXRs.

  本发明涉及基于喹哚醌的肝X受体（LXR）调节剂及相关方法。这些调节剂包括式（I）的化合物：其中：L1和L2中的每一个独立地是一个键，-O-或-NH-；R2是C6-C10芳基或杂环芳基，包括5-10个环原子，每个原子（i）被1个R9取代，并且（ii）可以进一步选择地被1-4个Re取代；R4和R5中的每一个独立地是（i）氢；或（ii）卤素；或（iii）C1-C6烷基或C1-C6卤代烷基，每一个取代基可以选择地被1-3个Ra取代；R1、R3、R6、R9、Ra和Re在此定义。一般来说，这些化合物可用于治疗或预防LXR介导的一种或多种疾病、障碍、症状或条件。