3-Dimethoxymethyl-pentanedioic acid diethyl ester | 877385-87-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Dimethoxymethyl-pentanedioic acid diethyl ester
• 英文别名: 1,5-Diethyl 3-(dimethoxymethyl)pentanedioate；diethyl 3-(dimethoxymethyl)pentanedioate
• CAS: 877385-87-0
• 化学式: C₁₂H₂₂O₆
• 分子量: 262.303
• InChiKey: SAVOKAPKFFZWDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-Dimethoxymethyl-pentanedioic acid diethyl ester 在 溶剂黄146 作用下， 生成 diethyl 3-formylpentanedioate
  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：

  4,4-dimethoxy-but-2-enoic acid ethyl ester 、 丙二酸二乙酯 在 sodium ethanolate 、 sodium chloride 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 生成 3-Dimethoxymethyl-pentanedioic acid diethyl 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.
• Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists
  作者：Mark L. Boys、Lori A. Schretzman、Nizal S. Chandrakumar、Michael B. Tollefson、Scott B. Mohler、Victoria L. Downs、Thomas D. Penning、Mark A. Russell、John A. Wendt、Barbara B. Chen、Heather G. Stenmark、Hongwei Wu、Dale P. Spangler、Michael Clare、Bipin N. Desai、Ish K. Khanna、Maria N. Nguyen、Tiffany Duffin、V. Wayne Engleman、Mary Beth Finn、Sandra K. Freeman、Melanie L. Hanneke、Jeffery L. Keene、Jon A. Klover、G. Allen Nickols、Maureen A. Nickols、Christina N. Steininger、Marisa Westlin、William Westlin、Yi X. Yu、Yaping Wang、Christopher R. Dalton、Sarah A. Norring

  DOI：10.1016/j.bmcl.2005.11.008

  日期：2006.2

  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.