(R)-3-(4-methanesulfonyloxymethylphenyl)butyric acid methyl ester | 926009-94-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (R)-3-(4-methanesulfonyloxymethylphenyl)butyric acid methyl ester
• 英文别名: (R)-3-(4-Methanesulfonyloxymethylphenyl)butyric acid methyl ester；methyl (3R)-3-[4-(methylsulfonyloxymethyl)phenyl]butanoate
• CAS: 926009-94-1
• 化学式: C₁₃H₁₈O₅S
• 分子量: 286.349
• InChiKey: FAAVCDAWSSIITB-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-3-(4-methanesulfonyloxymethylphenyl)butyric acid methyl ester 在 lithium hydroxide 、 caesium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3R)-3-(4-{[3-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}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
• 作为产物：
  描述：

  (R)-3-(4-hydroxymethylphenyl)-N-((S)-2-hydroxy-1-phenylethyl)butyramide 在 硫酸 、 三乙胺 作用下， 以 1,4-二氧六环 、 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

文献信息

• [EN] ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES<br/>[FR] INHIBITEURS D'ADHERENCE CELLULAIRE RELAYEE PAR L'INTEGRINE ALPHA-4 DANS LE TRAITEMENT OU LA PREVENTION DE MALADIES INFLAMMATOIRES
  申请人：TANABE SEIYAKU CO

  公开号：WO2005075438A1

  公开（公告）日：2005-08-18

  The present invention relates to novel compounds of formula (I), processes for their preparation, compositions comprising them and their use in the treatment or prevention of diseases capable of being modulated by the inhibition of cell adhesion.

  本发明涉及公式（I）的新化合物，其制备方法，包含它们的组合物以及它们在治疗或预防可通过抑制细胞粘附而调节的疾病中的应用。
• Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases
  申请人：Ward Robert William

  公开号：US20080234301A1

  公开（公告）日：2008-09-25

  The present invention relates to novel compounds of formula (I), processes for their preparation, compositions comprising them and their use in the treatment or prevention of diseases capable of being modulated by the inhibition of cell adhesion.

  本发明涉及式(I)的新化合物，其制备方法，包含它们的组合物以及它们在治疗或预防能够通过细胞黏附抑制进行调节的疾病中的使用。
• [EN] PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES<br/>[FR] NOUVEAUX COMPOSES
  申请人：TANABE SEIYAKU CO

  公开号：WO2004014859A3

  公开（公告）日：2004-04-15
• ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1737826A1

  公开（公告）日：2007-01-03
• 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.