diethyl 2-{4-[2-(2-oxo-1,3-benzoxazol-3 (2H)-yl)ethoxy]benzyl}malonate | 353279-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: diethyl 2-{4-[2-(2-oxo-1,3-benzoxazol-3 (2H)-yl)ethoxy]benzyl}malonate
• 英文别名: Diethyl 2-{4-[2-(2-oxo-1,3-benzoxazol-3(2H)-yl)ethoxy]benzyl}malonate；diethyl 2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methyl]propanedioate
• CAS: 353279-89-7
• 化学式: C₂₃H₂₅NO₇
• 分子量: 427.454
• InChiKey: ACUXLXXHQFVCQC-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：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  91.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 2-{4-[2-(2-oxo-1,3-benzoxazol-3 (2H)-yl)ethoxy]benzyl}malonate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 以30%的产率得到2-{4-[2-(2-oxo-1,3-benzoxazol-3(2H)-yl)ethoxy]benzyl}malonic acid
  参考文献：
  名称：

  Novel 1,3-dicarbonyl compounds having 2(3H)-benzazolonic heterocycles as PPARγ agonists

  摘要：

  A series of 1,3-dicarbonyl compounds having 2(3H)-benzazolonic heterocycles has been synthesized and tested for PPAR gamma agonist activity. SAR were developed and revealed that 6-acyl-2(3H)-benzothiazolone derivatives with 1,3-dicarbonyl group were the most potent. IP administration of compound 22 exhibited comparable levels of glucose and triglyceride correction to PO administration of rosiglitazone in the oblob mouse studies. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.029
• 作为产物：
  描述：

  2-苯并唑啉酮 在 palladium on activated charcoal 哌啶 、 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.0h， 生成 diethyl 2-{4-[2-(2-oxo-1,3-benzoxazol-3 (2H)-yl)ethoxy]benzyl}malonate
  参考文献：
  名称：

  Novel 1,3-dicarbonyl compounds having 2(3H)-benzazolonic heterocycles as PPARγ agonists

  摘要：

  A series of 1,3-dicarbonyl compounds having 2(3H)-benzazolonic heterocycles has been synthesized and tested for PPAR gamma agonist activity. SAR were developed and revealed that 6-acyl-2(3H)-benzothiazolone derivatives with 1,3-dicarbonyl group were the most potent. IP administration of compound 22 exhibited comparable levels of glucose and triglyceride correction to PO administration of rosiglitazone in the oblob mouse studies. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.029

文献信息

• Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same
  申请人：——

  公开号：US20030040533A1

  公开（公告）日：2003-02-27

  Compounds of formula (I): 1 wherein: X represents an oxygen atom or a sulphur atom or a group CH 2 or 2 R 1 and R 2 represent a hydrogen atom, or a group as defined in the description, A represents an alkylene chain as described in the description, B is as defined in the description, R 3 and R 4 represent a hydrogen atom or a group as defined in the description, D represents an optionally substituted benzene, optionally substituted pyrazine, optionally substituted pyrimidine or optionally substituted pyridazine nucleus.

  式(I)的化合物：1其中：X代表氧原子、硫原子或CH2或2R1和R2代表氢原子，或如说明书中所定义的基团，A代表如说明书中所描述的亚烷基链，B如说明书中所定义，R3和R4代表氢原子或如说明书中所定义的基团，D代表可任选取代的苯环、可任选取代的吡嗪环、可任选取代的嘧啶环或可任选取代的吡啶嗪环。
• Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same
  申请人：Lesieur Daniel

  公开号：US06919362B2

  公开（公告）日：2005-07-19

  Compounds of formula (I): wherein: X represents an oxygen or a sulphur or CH 2 or R 1 and R 2 represent a hydrogen atom, or a group as defined in the description, A represents an alkylene chain as described in the description, B is as defined in the description, R 3 and R 4 represent a hydrogen atom or a group as defined in the description, D represents an optionally substituted benzene, optionally substituted pyrazine, optionally substituted pyrimidine or optionally substituted pyridazine and medicinal products containing the same which are useful in treating or preventing melatoninergic disorders.

  式(I)的化合物： 其中，X代表氧、硫或CH2或R1和R2分别代表氢原子或定义于描述中的基团，A表示如描述中所述的烷基链，B如描述中所定义，R3和R4代表氢原子或定义于描述中的基团，D表示可选地取代的苯、可选地取代的吡嗪、可选地取代的嘧啶或可选地取代的吡啶二氮杂环。 含有这些化合物的药物产品对治疗或预防褪黑激素失调疾病有用。
• DERIVES D'AZOLES CONDENSES ET LEUR UTILISATION COMME AGENTS HYPOGLYCEMIANTS
  申请人：Les Laboratoires Servier

  公开号：EP1252150B1

  公开（公告）日：2003-06-04
• US6919362B2
  申请人：——

  公开号：US6919362B2

  公开（公告）日：2005-07-19