3-[(benzooxazol-2-yl)-(2,4-bis-trifluoromethyl-benzyl)-amino]-propan-1-ol | 784174-86-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(benzooxazol-2-yl)-(2,4-bis-trifluoromethyl-benzyl)-amino]-propan-1-ol
• 英文别名: 3-[1,3-Benzoxazol-2-yl-[[2,4-bis(trifluoromethyl)phenyl]methyl]amino]propan-1-ol
• CAS: 784174-86-3
• 化学式: C₁₉H₁₆F₆N₂O₂
• 分子量: 418.339
• InChiKey: VMZGBOOPHBAEJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  49.5
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• [EN] (3-{3-'(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS<br/>[FR] ACIDE (3-{3- (2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIQUE ET COMPOSES ASSOCIES EN TANT QUE MODULATEURS DE PPAR, ET PROCEDES POUR TRAITER DES TROUBLES DU METABOLISME
  申请人：KALYPSYS INC

  公开号：WO2004093879A1

  公开（公告）日：2004-11-04

  Disclosed are compounds of formula I as modulators of peroxisome proliferator activated receptors (PPARs) for the treatment of metabolic diseases such as obesity: wherein Ar1 is selected from the group consisting of a monocyclic heteroarornatic ring structure and a bicyclic heteroaromatic ring structure; Ar2 is selected from the group consisting of a monocyclic, a bicyclic, and a tricyclic carbocyclic aryl ring structure R1 is selected from the group consisting of alkyl, optionally substituted a five-membered or six-membered heteroarylring or a six-membered aryl ring, optionally substituted R2 is selected from the group consisting of hydrogen; alkyl, optionally substituted a five-membered or six-membered heteroaryl ring or a six-membered aryl ring, optionally substituied cyano; nitro; an amino; an amido; perhaloalkyl; and halogen; R3 is selected from the group consisting of hydrogen; alkyl, optionally substituted and B is a five-membered or six-membered heteroaryl ring, or -(CH2)j-C(O)OR4, wherein j is 0 or I 1 when Ar2 is a bicyclic or tricyclic carbocyclic ring structure and j is 1 when Ar2 is a monocyclic carbocyclic ring structure; and R4 is selected from the group consisting of hydrogen; alkyl, optionally substituted a five-membered or six-membered heteroaryl ring or a six-membered aryl ring, optionally substituted. The obtional substituents are as defined in claim 1.

  公开了如下式化合物作为过氧化物酶增殖物激活受体（PPARs）的调节剂，用于治疗肥胖等代谢性疾病：其中Ar1选自由单环杂芳环结构和双环杂芳环结构组成的群体；Ar2选自由单环、双环和三环碳环芳基环结构组成的群体；R1选自烷基、可选择地取代的五元环或六元环杂芳基环或六元芳基环，可选择地取代；R2选自氢；烷基，可选择地取代的五元环或六元环杂芳基环或六元芳基环，可选择地取代氰基；硝基；氨基；酰胺基；全氟烷基；和卤素；R3选自氢；烷基，可选择地取代；B是五元环或六元环杂芳基环，或-(CH2)j-C(O)OR4，其中j为0或1，当Ar2为双环或三环碳环环结构时，j为1，当Ar2为单环碳环环结构时；R4选自氢；烷基，可选择地取代的五元环或六元环杂芳基环或六元芳基环，可选择地取代。可选择的取代基的定义如权利要求1所述。
• EP1613326A1
  申请人：——

  公开号：EP1613326A1

  公开（公告）日：2006-01-11
• (3-{3-'(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO]-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS
  申请人：Kalypsys, Inc.

  公开号：EP1613326B1

  公开（公告）日：2006-09-13
• Aryl compounds as modulators of PPARS and methods of treating metabolic disorders
  申请人：Liu Kevin

  公开号：US20050070532A1

  公开（公告）日：2005-03-31

  Compounds as modulators of peroxisome proliferator activated receptors, pharmaceutical compositions comprising the same, and methods of treating disease using the same are disclosed.