4-(2-Methyl-benzothiazol-5-yl)-dihydro-pyran-2,6-dione | 724771-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 4-(2-Methyl-benzothiazol-5-yl)-dihydro-pyran-2,6-dione
• 英文别名: 4-(2-Methyl-1,3-benzothiazol-5-yl)oxane-2,6-dione
• CAS: 724771-63-5
• 化学式: C₁₃H₁₁NO₃S
• 分子量: 261.301
• InChiKey: RHXSKTYNORGSPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-Methyl-benzothiazol-5-yl)-dihydro-pyran-2,6-dione 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 4-Chlorocarbonyl-3-(2-methyl-benzothiazol-5-yl)-butyric acid ethyl ester
  参考文献：
  名称：

  Synthesis of 2,5-thiazole butanoic acids as potent and selective αvβ3 integrin receptor antagonists with improved oral pharmacokinetic properties

  摘要：

  We describe a series of 2,5 thiazole containing compounds, which are potent antagonists of the integrin alpha(V)beta(3) and show selectivity relative to the other integrins, such as alpha(IIB)beta(3) and alpha(V)beta(6). These analogs were demonstrated to have high bioavailability relative to other relative heterocyclic analogs. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.017
• 作为产物：
  描述：

  2-甲基-苯并噻唑-5-甲醛 在 哌啶 、 乙酸酐 作用下， 生成 4-(2-Methyl-benzothiazol-5-yl)-dihydro-pyran-2,6-dione
  参考文献：
  名称：

  Synthesis of 2,5-thiazole butanoic acids as potent and selective αvβ3 integrin receptor antagonists with improved oral pharmacokinetic properties

  摘要：

  We describe a series of 2,5 thiazole containing compounds, which are potent antagonists of the integrin alpha(V)beta(3) and show selectivity relative to the other integrins, such as alpha(IIB)beta(3) and alpha(V)beta(6). These analogs were demonstrated to have high bioavailability relative to other relative heterocyclic analogs. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.017

文献信息

• [EN] HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS<br/>[FR] ACIDES HETEROARYLALCANOIQUES EN TANT QU'ANTAGONISTES DU RECEPTEUR D'INTEGRINE
  申请人：PHARMACIA CORP

  公开号：WO2004058254A1

  公开（公告）日：2004-07-15

  The present invention relates to pharmaceutical compositions comprising compounds of the Formula I, or a pharmaceutically acceptable salt thereof, and methods of selectively inhibiting or antagonizing the ανβ3 and/or the ανβ5 integrin without significantly inhibiting the ανβ6 integrin.