6-acetamido-3-methyl-1,2-benzisoxazole | 145508-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 6-acetamido-3-methyl-1,2-benzisoxazole
• 英文别名: N-(3-methyl-1,2-benzoxazol-6-yl)acetamide
• CAS: 145508-92-5
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: MVVWJOZQAFAYQY-UHFFFAOYSA-N

物化性质

• 沸点：
  430.2±25.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-acetamido-3-methyl-1,2-benzisoxazole 在 盐酸 、 三乙胺 、 三氟乙酸 、 lithium diisopropyl amide 、 sodium nitrite 作用下， 反应 19.08h， 生成 6-Cyano-3-[2-[1-(phenylmethyl)-4-piperidyl]ethyl]-1,2-benzisoxazole
  参考文献：
  名称：

  Villalobos; Blake; Biggers, Journal of Medicinal Chemistry, 1994, vol. 37, # 17, p. 2721 - 2734

  摘要：

  DOI：
• 作为产物：
  描述：

  [(E)-1-(4-acetamido-2-hydroxyphenyl)ethylideneamino] acetate 以62%的产率得到
  参考文献：
  名称：

  Villalobos Anabella, Blake James F., Biggers C. Kelly, Butler Todd W., Ch+, J. Med. Chem, 37 (1994) N 17, S 2721-2734

  摘要：

  DOI：

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。
• Activator of peroxisome proliferator-activated receptor delta
  申请人：Sakuma Shogo

  公开号：US20070027196A1

  公开（公告）日：2007-02-01

  A compound represented by the formula (I) or a salt of the compound, and a PPAR-δ activator which contains the compound or salt as the active ingredient: (wherein A represents O or S; B 1 represents N, etc.; B 2 represents O, etc.; each of X 1 and X 2 represents O, S, a bond, etc.; Y represents C 1-8 alkylene chain; z represents O or S; R 1 represents aryl, etc. which can have substituents; R 2 represents C 1-8 alkyl, etc.; R 3 represents C 1-8 alkyl, C 2-8 alkenyl, etc.; each of R 4 and R 5 represents hydrogen, C 1-8 alkyl, etc.; and R 6 represents hydrogen, etc.; provided that each of Z and R 3 is attached to the benzene ring, and X 2 is not attached to the benzene ring).

  化合物的化学式为(I)或该化合物的盐，以及含有该化合物或盐为活性成分的PPAR-δ激动剂：（其中A代表O或S；B1代表N等；B2代表O等；X1和X2分别代表O、S、键等；Y代表C1-8烷基链；z代表O或S；R1代表苯基等，可以有取代基；R2代表C1-8烷基等；R3代表C1-8烷基、C2-8烯基等；R4和R5分别代表氢、C1-8烷基等；R6代表氢等；但要求Z和R3均连接到苯环上，且X2未连接到苯环上）。
• ANTIBACTERIAL AGENTS
  申请人：Josyula Vara Prasad Venkata Nagendra

  公开号：US20090221655A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of Formula (I) Or a pharmaceutically acceptable salt thereof wherein: W is CH 2 NHC(═Z)R 1 , C(═Z)NHR 2 , or CH 2 het; X is H, C 1-6 alkyl, or C 2-6 alkenyl; Y is H, or F; Z is O, or S; R 1 is C 1-6 alkyl, NHC 1-6 alkyl, C 3-7 cycloalkyl, C 2-6 alkenyl, or OC 1-4 alkyl; R 2 is H, C 1-4 alkyl, or —OC 1-4 alkyl; and het is a five-(5) or six-(6) membered heterocyclic ring having 1-4 heteroatoms selected from the group consisting of oxygen, sulfur, and nitrogen within the ring, wherein each carbon atom in het is optionally substituted with C 1-4 alkyl, C 2-4 alkenyl, C 2-4 alkynyl, halo, OR 3 , CN, NO 2 , NHR 3 R 3 , oxo, CF 3 , OCF 3 , C(═O)C 1-4 alkyl, OC(═O)C 1-4 alkyl, or C(═O)OR 3 ; wherein R 3 is H, or C 1-4 alkyl.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中： W是CH2NHC（═Z）R1，C（═Z）NHR2或CH2het； X是H、C1-6烷基或C2-6烯基； Y是H或F； Z是O或S； R1是C1-6烷基、NHC1-6烷基、C3-7环烷基、C2-6烯基或OC1-4烷基； R2是H、C1-4烷基或—OC1-4烷基； het是具有1-4个杂原子的五元（5）或六元（6）成员杂环，所述杂原子选自环内的氧、硫和氮的群，其中het中的每个碳原子可选地被C1-4烷基、C2-4烯基、C2-4炔基、卤、OR3、CN、NO2、NHR3R3、氧代、CF3、OCF3、C（═O）C1-4烷基、OC（═O）C1-4烷基或C（═O）OR3取代； 其中R3是H或C1-4烷基。
• Activator of peroxisome proliferator-activated receptor δ
  申请人：Nippon Chemiphar Co., Ltd

  公开号：US07402597B2

  公开（公告）日：2008-07-22

  A compound represented by the formula (I) or a salt of the compound, and a PPAR-δ activator which contains the compound or salt as the active ingredient: (wherein A represents O or S; B1 represents N, etc.; B2 represents O, etc.; each of X1 and X2 represents O, S, a bond, etc.; Y represents C1-8 alkylene chain; z represents O or S; R1 represents aryl, etc. which can have substituents; R2 represents C1-8 alkyl, etc.; R3 represents C1-8 alkyl, C2-8 alkenyl, etc.; each of R4 and R5 represents hydrogen, C1-8 alkyl, etc.; and R6 represents hydrogen, etc.; provided that each of Z and R3 is attached to the benzene ring, and X2 is not attached to the benzene ring).

  化合物的化学式为(I)，或其盐，以及含有该化合物或盐作为活性成分的PPAR-δ激动剂：（其中A代表O或S；B1代表N等；B2代表O等；X1和X2各自代表O，S，键等；Y代表C1-8烷基链；z代表O或S；R1代表芳基等，可以有取代基；R2代表C1-8烷基等；R3代表C1-8烷基，C2-8烯基等；R4和R5各自代表氢，C1-8烷基等；R6代表氢等；前提是Z和R3各自连接到苯环上，X2未连接到苯环上）。
• 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。