(3R)-3-[4-(hydroxymethyl)phenyl]butanoic acid | 926009-93-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (3R)-3-[4-(hydroxymethyl)phenyl]butanoic acid
• CAS: 926009-93-0
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: WBIRDFKRRSTEFW-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3R)-3-[4-(hydroxymethyl)phenyl]butanoic acid 在 硫酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-3-(4-methanesulfonyloxymethylphenyl)butyric acid methyl ester
  参考文献：
  名称：

  Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists

  摘要：

  A series of pyridone-N-benzyl-propanoic acids have been optimised to afford potent orally bioavailable VLA-4 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.044
• 作为产物：
  描述：

  (R)-3-(4-hydroxymethylphenyl)-N-((S)-2-hydroxy-1-phenylethyl)butyramide 在 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 以94%的产率得到(3R)-3-[4-(hydroxymethyl)phenyl]butanoic acid
  参考文献：
  名称：

  Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists

  摘要：

  A series of pyridone-N-benzyl-propanoic acids have been optimised to afford potent orally bioavailable VLA-4 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.044

文献信息

• Novel compounds
  申请人：Witherington Jason

  公开号：US20050288337A1

  公开（公告）日：2005-12-29

  The present invention relates to novel pyridone derivatives capable of inhibiting α 4 integrin mediated cell adhesion, processes for their preparation, compositions comprising them and their use in the treatment of diseases capable of being modulated by the inhibition of cell adhesion.

  本发明涉及一种新型吡啶酮衍生物，能够抑制α4整合素介导的细胞黏附，其制备方法、包含它们的组合物以及它们在治疗能够通过抑制细胞黏附来调节的疾病中的应用。
• PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1539696A2

  公开（公告）日：2005-06-15
• US7410984B2
  申请人：——

  公开号：US7410984B2

  公开（公告）日：2008-08-12
• [EN] PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES<br/>[FR] NOUVEAUX COMPOSES
  申请人：TANABE SEIYAKU CO

  公开号：WO2004014859A2

  公开（公告）日：2004-02-19

  The present invention relates to novel pyridone derivatives capable of inhibiting a4 integrin medicated cell adhesion, processes for their preparation, compositions comprising them and their use in the treatment of diseases capable of being modulated by the inhibition of cell adhesion.
• Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists
  作者：Jason Witherington、Emma L. Blaney、Vincent Bordas、Richard L. Elliott、Alessandra Gaiba、Neil Garton、Philip M. Green、Antoinette Naylor、David G. Smith、David J. Spalding、Andrew K. Takle、Robert W. Ward

  DOI：10.1016/j.bmcl.2006.08.044

  日期：2006.11

  A series of pyridone-N-benzyl-propanoic acids have been optimised to afford potent orally bioavailable VLA-4 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.