2-(4'-羟基苯基)丁烷-1,4-二酸 | 23053-35-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 2-(4'-羟基苯基)丁烷-1,4-二酸
• 英文名称: 2-(4'-hydroxyphenyl)butane-1,4-dioic acid
• 英文别名: (4-hydroxy-phenyl)-succinic acid；(4-Hydroxy-phenyl)-bernsteinsaeure；p-Hydroxyphenylbernsteinsaeure；2-(4-Hydroxyphenyl)succinic acid；2-(4-hydroxyphenyl)butanedioic acid
• CAS: 23053-35-2
• 化学式: C₁₀H₁₀O₅
• 分子量: 210.186
• InChiKey: JACAYMPMXVSQHG-UHFFFAOYSA-N

物化性质

• 熔点：
  164 °C
• 沸点：
  373.7±27.0 °C(Predicted)
• 密度：
  1.462±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4'-羟基苯基)丁烷-1,4-二酸 在 氨 、 水 作用下， 生成 5-(4-羟基苯基)海因
  参考文献：
  名称：

  Anticonvulsants. IV. An Investigation of α-(Substituted phenyl)-succinimides

  摘要：

  DOI：

  10.1021/ja01120a044
• 作为产物：
  描述：

  Dimethyl 2-(4-methoxyphenyl)but-2-enedioate 在 palladium dihydroxide 、 氢溴酸 、 氢气 作用下， 以 甲醇 为溶剂， 生成 2-(4'-羟基苯基)丁烷-1,4-二酸
  参考文献：
  名称：

  Small molecule inhibitors of plasma kallikrein

  摘要：

  Plasma kallikrein is a serine protease that is involved in pathways of inflammation, complement fixation, coagulation, and fibrinolysis. Herein, we describe the SAR and structural binding modes of a series of inhibitors of plasma kallikrein as well as the pharmacokinetics of a lead analog 11 in rat. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.060

文献信息

• 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors
  申请人：Kolesnikov Aleksandr

  公开号：US20050203094A1

  公开（公告）日：2005-09-15

  The present invention provides 2-[5-(5-carbamimidoyl-1H-heteroaryl)]-6-hydroxy-biphenyl-3-yl derivatives of formula (I): I That are Factor VIIa and Xa inhibitors

  本发明提供了式(I)的2-[5-(5-氨基甲酰基-1H-杂环芳基)]-6-羟基联苯-3-基衍生物，该衍生物具有抑制凝血因子VIIa和Xa的作用。
• Dave; Nargund, Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1938, vol. 7/, p. 196,199
  作者：Dave、Nargund

  DOI：——

  日期：——
• Anticonvulsants. IV. An Investigation of α-(Substituted phenyl)-succinimides
  作者：C. A. Miller、Loren M. Long

  DOI：10.1021/ja01120a044

  日期：1953.12
• Dave; Nargund, Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1938, vol. 7/3, p. 191,194
  作者：Dave、Nargund

  DOI：——

  日期：——
• Factor VIIa inhibitors: Improved pharmacokinetic parameters
  作者：Aleksandr Kolesnikov、Roopa Rai、Wendy B. Young、Joyce Mordenti、Liang Liu、Steven Torkelson、William D. Shrader、Ellen M. Leahy、Huiyong Hu、Erik Gjerstad、James Janc、Bradley A. Katz、Paul A. Sprengeler

  DOI：10.1016/j.bmcl.2006.01.037

  日期：2006.4

  Efforts to improve the potency and pharmacokinetic properties of small molecule factor VIIa inhibitors are described. Small structural modifications to existing leads allow the modulation of half-life and clearance, potentially making these compounds suitable candidates for drug development. (C) 2006 Elsevier Ltd. All rights reserved.