4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid
• 英文别名: 3-(Benzyloxycarbonyl)-2-hydroxypropanoic acid；2-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: IBFHVVYOZSCYNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 11.0h， 生成 3-((5-chloropyridin-2-yl)carbamoyl)-2-oxooxazolidine-5-formic acid benzyl ester
  参考文献：
  名称：

  噁唑烷酮类化合物及其在药物中的应用

  摘要：

  本发明涉及一类噁唑烷酮类化合物、及其在制备预防和治疗血栓栓塞病症的药物中的应用。特别的，本发明涉及通式(I))所示的化合物，其中或其立体异构体、几何异构体、互变异构体、氮氧化物、水合物、溶剂化物、代谢产物、药学上可接受的盐或前药，各变量如说明书所定义。本发明还涉及通式(I)所示的化合物其立体异构体、几何异构体、互变异构体、氮氧化物、水合物、溶剂化物、代谢产物、药学上可接受的盐或前药的盐作为药物的用途，尤其是作为用于预防和治疗血栓栓塞病症的药物的用途。

  公开号：

  CN104447728B
• 作为产物：
  描述：

  benzyl 3,4-dihydroxybutanoate 在 2,2,6,6-四甲基哌啶氧化物 、 sodium hypochlorite 、 sodium chlorite 作用下， 以 aq. phosphate buffer 、 甲苯 为溶剂， 反应 8.0h， 以87%的产率得到4-(benzyloxy)-2-hydroxy-4-oxobutanoic acid
  参考文献：
  名称：

  Chemoselective Catalytic Oxidation of 1,2-Diols to α-Hydroxy Acids Controlled by TEMPO–ClO₂ Charge-Transfer Complex

  摘要：

  Chemoselective catalytic oxidation from 1,2-diols to a-hydroxy acids in a cat. TEMPO/cat. NaOCl/NaClO2 system has been achieved. The use of a two-phase condition consisting of hydrophobic toluene and water suppresses the concomitant oxidative cleavage. A study of the mechanism suggests that the observed selectivity is derived from the precise solubility: control of diols and hydroxy acids as well as the active species Of TEMPO, Although the oxoammonium species TEMPO+Cl- is hydrophilic, the active species dissolves into the organic layer by the formation of the charge-transfer (CT) complex TEMPO-ClO2 under the reaction conditions.

  DOI：

  10.1021/acs.orglett.5b01003

文献信息

• METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE
  申请人：Waterville Valley Technologies, Inc.

  公开号：US20160326182A1

  公开（公告）日：2016-11-10

  Abuse-resistant opioid compounds, drug delivery systems, pharmaceutical compositions comprising an opioid covalently bound to a chemical moiety are provided. Methods of delivering an active ingredient to a subject and methods of preventing opioid abuse are also provided.

  提供了耐滥用的阿片类化合物、药物输送系统、含有阿片类药物与化学基团共价结合的制药组合物。还提供了将活性成分输送给受试者的方法以及预防阿片类药物滥用的方法。
• Enhanced indolinone based protein kinase inhibitors
  申请人：Liang Congxin

  公开号：US20060287381A1

  公开（公告）日：2006-12-21

  Hydroxy carboxy pyrrolyl-indolinone derivatives have enhanced and unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer. More particularly, alpha-hydroxy-omega-(2-oxo-indolylidenemethyl-pyrrole-3′-carbonyl) amino alkanoic acid and amide derivatives have enhanced and unexpected drug properties as inhibitors of protein kinases with respect to their corresponding beta-hydroxy-omega-(2-oxo-indolylidenemethyl-pyrrole-3′-carbonyl) amino alkanoic acid and amide derivatives and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  羟基羧基吡咯基吲哚酮衍生物具有增强和意外的药物特性，可以作为蛋白激酶抑制剂，用于治疗与异常蛋白激酶活性相关的疾病，如癌症。特别地，α-羟基-ω-（2-氧代吲哚亚甲基吡咯-3'-羧酰基）氨基脂肪酸和酰胺衍生物具有增强和意外的药物特性，可作为蛋白激酶抑制剂，相对于其相应的β-羟基-ω-（2-氧代吲哚亚甲基吡咯-3'-羧酰基）氨基脂肪酸和酰胺衍生物，用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• Enhanced Indolinone Based Protein Kinase Inhibitors
  申请人：Liang Congxin

  公开号：US20100267719A1

  公开（公告）日：2010-10-21

  Alpha-hydroxy-omega-(2-oxo-indolylidenemethyl-pyrrole-3′-carbonyl)amino alkanoic acid and amide derivatives have enhanced and unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  Alpha-hydroxy-omega-(2-oxo-indolylidenemethyl-pyrrole-3′-carbonyl)amino烷基酸和酰胺衍生物具有增强和意外的药物特性，可作为蛋白激酶抑制剂用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND OPTICAL MATERIAL AND PLASTIC LENS OBTAINED FROM COMPOSITION
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3351564A1

  公开（公告）日：2018-07-25

  A polymerizable composition for an optical material according to the present invention, including: a monomer mixture (A) including a polymerizable monomer having a (meth) acrylic group, a photochromic compound (B) which is at least one selected from compounds represented by Formulae (1) and (2) ; and an ultraviolet absorbing agent (C) which is at least one selected from compounds represented by Formulae (a) to (c) .         PC-L-Chain     (1)         PC-L-Chain-L'-PC'     (2)

  根据本发明，一种用于光学材料的可聚合组合物，包括：单体混合物（A），其中包括具有（甲基）丙烯酸基团的可聚合单体；光致变色化合物（B），该化合物至少选自式（1）和（2）所代表的化合物中的一种；以及紫外线吸收剂（C），该紫外线吸收剂至少选自式（a）至（c）所代表的化合物中的一种。 PC-L-链（1） PC-L-链-L'-PC'（2）
• Methods and compositions for preventing opioid abuse
  申请人：Waterville Valley Technologies, Inc.

  公开号：US10226456B2

  公开（公告）日：2019-03-12

  Abuse-resistant opioid compounds, drug delivery systems, pharmaceutical compositions comprising an opioid covalently bound to a chemical moiety are provided. Methods of delivering an active ingredient to a subject and methods of preventing opioid abuse are also provided.

  提供了抗滥用阿片类化合物、给药系统、药物组合物，其中包含与化学分子共价结合的阿片类药物。此外，还提供了向受试者输送活性成分的方法和防止滥用阿片类药物的方法。