[2-(2,4-Dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]methanol | 954372-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2-(2,4-Dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]methanol
• CAS: 954372-10-2
• 化学式: C₁₃H₁₃Cl₂NO₂
• 分子量: 286.158
• InChiKey: PIXAEMLSSJRQIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2-(2,4-Dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]methanol 在 氯化亚砜 作用下， 以 苯 为溶剂， 以100%的产率得到4-chloromethyl-2-(2,4-dichlorophenyl)-5-isopropyloxazole
  参考文献：
  名称：

  Synthesis of a novel human PPARδ selective agonist and its stimulatory effect on oligodendrocyte differentiation

  摘要：

  We successfully synthesized a novel peroxisome proliferator-activated receptor (PPAR)delta selective agonist, namely, compound 20, with a characteristic benzisoxazole ring. Compound 20 exhibited potent human PPAR delta transactivation activity and high d selectivity. Further, it stimulated differentiation of primary oligodendrocyte precursor cells in vitro, indicating that it may be an effective drug in the treatment of demyelinating disorders such as multiple sclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.030
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以96%的产率得到[2-(2,4-Dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]methanol
  参考文献：
  名称：

  Synthesis of a novel human PPARδ selective agonist and its stimulatory effect on oligodendrocyte differentiation

  摘要：

  We successfully synthesized a novel peroxisome proliferator-activated receptor (PPAR)delta selective agonist, namely, compound 20, with a characteristic benzisoxazole ring. Compound 20 exhibited potent human PPAR delta transactivation activity and high d selectivity. Further, it stimulated differentiation of primary oligodendrocyte precursor cells in vitro, indicating that it may be an effective drug in the treatment of demyelinating disorders such as multiple sclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.030

文献信息

• ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA
  申请人：Sakuma Shogo

  公开号：US20090298896A1

  公开（公告）日：2009-12-03

  A compound represented by the following general formula (II) or a salt thereof is used as an activator of PPARδ. wherein G a is O, CH 2 or the like; A a is thiazole, oxazole, or thiophene, which can have a substituent such as C 1-8 alkyl, C 1-8 alkoxy, halogen, C 1-8 alkyl substituted with halogen or the like; B a is a C 1-8 alkylene or C 2-8 alkenylene chain; and each of R 1a and R 2a independently is hydrogen, C 1-8 alkyl, C 1-8 alkoxy, halogen, C 1-8 alkyl substituted with halogen or the like.

  以下通式（II）所代表的化合物或其盐被用作PPARδ的激活剂。其中G是O，CH2或类似物；A是噻唑、噁唑或噻吩，可以具有C1-8烷基、C1-8烷氧基、卤素、C1-8卤代烷基或类似物的取代基；B是C1-8烷基或C2-8烯基烷链；R1a和R2a各自独立地是氢、C1-8烷基、C1-8烷氧基、卤素、C1-8卤代烷基或类似物。
• ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2014652B1

  公开（公告）日：2014-08-06
• US8404726B2
  申请人：——

  公开号：US8404726B2

  公开（公告）日：2013-03-26
• Synthesis of a novel human PPARδ selective agonist and its stimulatory effect on oligodendrocyte differentiation
  作者：Shogo Sakuma、Tsuyoshi Endo、Takashi Kanda、Hideki Nakamura、Satomi Yamasaki、Tomio Yamakawa

  DOI：10.1016/j.bmcl.2010.11.030

  日期：2011.1

  We successfully synthesized a novel peroxisome proliferator-activated receptor (PPAR)delta selective agonist, namely, compound 20, with a characteristic benzisoxazole ring. Compound 20 exhibited potent human PPAR delta transactivation activity and high d selectivity. Further, it stimulated differentiation of primary oligodendrocyte precursor cells in vitro, indicating that it may be an effective drug in the treatment of demyelinating disorders such as multiple sclerosis. (C) 2010 Elsevier Ltd. All rights reserved.