6-acetamido-3-[2-[2-phenyl-5-methyl-4-oxazolyl)-ethyl]-1,2-benzisoxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-acetamido-3-[2-[2-phenyl-5-methyl-4-oxazolyl)-ethyl]-1,2-benzisoxazole
• 英文别名: 6-acetamido-3-[2-(2-phenyl-5-methyl-4-oxazolyl)ethyl]-1,2-benzisoxazole；6-Acetamido-3-[2-[2-phenyl-5-methyl-4-oxazolyl) ethyl]-1,2-benzisoxazole；N-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-benzoxazol-6-yl]acetamide
• 化学式: C₂₁H₁₉N₃O₃
• 分子量: 361.4
• InChiKey: JRKJZNPMRJDLJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-acetamido-3-[2-[2-phenyl-5-methyl-4-oxazolyl)-ethyl]-1,2-benzisoxazole 在 盐酸 、 水 、 溶剂黄146 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 生成 6-amino-3-[2-(2-phenyl-5-methyl-4-oxazolyl) ethyl]-1,2-benzisoxazole
  参考文献：
  名称：

  Biological evaluation of novel benzisoxazole derivatives as PPARδ agonists

  摘要：

  We discovered novel peroxisome proliferator-activated receptor delta agonists with a characteristic benzisoxazole ring. Compound 5 exhibited potent human PPAR delta transactivation activity. Furthermore, it stimulated the differentiation of oligodendrocyte precursor cells in vitro. This indicates that this potential drug may be effective for the treatment of demyelinating disorders such as multiple sclerosis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.053
• 作为产物：
  描述：

  4-(氯甲基)-5-甲基-2-苯基-1,3-恶唑 、 6-acetamido-3-methyl-1,2-benzisoxazole 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.92h， 生成 6-acetamido-3-[2-[2-phenyl-5-methyl-4-oxazolyl)-ethyl]-1,2-benzisoxazole
  参考文献：
  名称：

  Biological evaluation of novel benzisoxazole derivatives as PPARδ agonists

  摘要：

  We discovered novel peroxisome proliferator-activated receptor delta agonists with a characteristic benzisoxazole ring. Compound 5 exhibited potent human PPAR delta transactivation activity. Furthermore, it stimulated the differentiation of oligodendrocyte precursor cells in vitro. This indicates that this potential drug may be effective for the treatment of demyelinating disorders such as multiple sclerosis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.053

文献信息

• Propionic acid derivatives
  申请人：——

  公开号：US20020032330A1

  公开（公告）日：2002-03-14

  A propionic acid derivative having the following formula (II) and its salt: 1 [wherein A 1 is an aryl or heterocyclic group which may have a substituent; Y 2 is an alkylene chain having 1 to 5 carbon atoms; X 4 is a single bond, an oxygen atom, or a sulfur atom; W 1 is a naphthalene ring, a quinoline ring, an indole ring, a benzisoxazole ring, or benzo[b]thiophene ring, all of which may have a substituent; R 4 is a hydrogen atom or an alkyl group having 1 to 8 carbon atoms; X 5 is an oxygen atom or a sulfur atom; R 5 is an alkyl group having 1 to 8 carbon atoms, an aralkyl group, or an aryl group, all of which may have a substituent] have a hypoglycemic effect and hypolipidemic activity.

  具有以下结构式（II）及其盐的丙酸衍生物：其中A1为可能具有取代基的芳基或杂环基；Y2为具有1至5个碳原子的烷基链；X4为单键、氧原子或硫原子；W1为萘环、喹啉环、吲哚环、苯并异噁唑环或苯并噻吩环，均可能具有取代基；R4为氢原子或具有1至8个碳原子的烷基基团；X5为氧原子或硫原子；R5为具有1至8个碳原子的烷基基团、芳基烷基基团或芳基，均可能具有取代基，具有降血糖作用和降脂活性。
• PROPIONIC ACID DERIVATIVES
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：EP0994095A1

  公开（公告）日：2000-04-19

  A propionic acid derivative having the following formula (II) and its salt: [wherein A1 is an aryl or heterocyclic group which may have a substituent; Y2 is an alkylene chain having 1 to 5 carbon atoms; X4 is a single bond, an oxygen atom, or a sulfur atom; W1 is a naphthalene ring, a quinoline ring, an indole ring, a benzisoxazole ring, or benzo[b]thiophene ring, all of which may have a substituent; R4 is a hydrogen atom or an alkyl group having 1 to 8 carbon atoms; X5 is an oxygen atom or a sulfur atom; R5 is an alkyl group having 1 to 8 carbon atoms, an aralkyl group, or an aryl group, all of which may have a substituent] have a hypoglycemic effect and hypolipidemic activity.

  具有下式（II）的丙酸衍生物及其盐： [其中 A1 是芳基或杂环基团，可具有取代基；Y2 是具有 1 至 5 个碳原子的亚烷基链；X4 是单键、氧原子或硫原子；W1 是萘环、喹啉环、吲哚环、苯并异噁唑环或苯并[b]噻吩环，所有这些环均可具有取代基；R4 是氢原子或具有 1 至 8 个碳原子的烷基；X5 是氧原子或硫原子；R5 是具有 1 至 8 个碳原子的烷基、芳基或芳基，所有这些基团都可以具有取代基]具有降血糖作用和降血脂活性。
• Biological evaluation of novel benzisoxazole derivatives as PPARδ agonists
  作者：Shogo Sakuma、Tsuyoshi Endo、Takashi Kanda、Hideki Nakamura、Satomi Yamasaki、Tomio Yamakawa

  DOI：10.1016/j.bmc.2011.03.053

  日期：2011.5

  We discovered novel peroxisome proliferator-activated receptor delta agonists with a characteristic benzisoxazole ring. Compound 5 exhibited potent human PPAR delta transactivation activity. Furthermore, it stimulated the differentiation of oligodendrocyte precursor cells in vitro. This indicates that this potential drug may be effective for the treatment of demyelinating disorders such as multiple sclerosis. (C) 2011 Elsevier Ltd. All rights reserved.