3-Benzo[1,3]dioxol-5-yl-4-[3-(4-hydroxy-butyl)-[1,2,4]oxadiazol-5-yl]-butyric acid methyl ester | 724771-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3-Benzo[1,3]dioxol-5-yl-4-[3-(4-hydroxy-butyl)-[1,2,4]oxadiazol-5-yl]-butyric acid methyl ester
• 英文别名: Methyl 3-(1,3-benzodioxol-5-yl)-4-[3-(4-hydroxybutyl)-1,2,4-oxadiazol-5-yl]butanoate
• CAS: 724771-64-6
• 化学式: C₁₈H₂₂N₂O₆
• 分子量: 362.382
• InChiKey: JVCJZZUWDIDIFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-Benzo[1,3]dioxol-5-yl-4-[3-(4-hydroxy-butyl)-[1,2,4]oxadiazol-5-yl]-butyric acid methyl ester 在 N-甲基吲哚酮 、 molecular sieve 、 四丙基高钌酸铵 作用下， 生成 3-Benzo[1,3]dioxol-5-yl-4-[3-(4-oxo-butyl)-[1,2,4]oxadiazol-5-yl]-butyric acid methyl ester
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008
• 作为产物：
  描述：

  3-Benzo[1,3]dioxol-5-yl-4-{3-[4-(tetrahydro-pyran-2-yloxy)-butyl]-[1,2,4]oxadiazol-5-yl}-butyric acid methyl ester 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 生成 3-Benzo[1,3]dioxol-5-yl-4-[3-(4-hydroxy-butyl)-[1,2,4]oxadiazol-5-yl]-butyric acid methyl ester
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008

文献信息

• Heteroarylalkanoic acids as integrin receptor antagonists derivatives
  申请人：Boys L. Mark

  公开号：US20050043344A1

  公开（公告）日：2005-02-24

  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 α V β 3 and/or the α V β 5 integrin without significantly inhibiting the α V β 6 integrin.

  本发明涉及包含式I的化合物或其药学上可接受的盐的制药组合物，以及选择性地抑制或拮抗αVβ3和/或αVβ5整合素的方法，而不显著抑制αVβ6整合素。
• HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS
  申请人：Pharmacia Corporation

  公开号：EP1592421A1

  公开（公告）日：2005-11-09
• [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.