RAC5-羟基丙戊羧酸钠盐 | 53660-23-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: RAC5-羟基丙戊羧酸钠盐
• 中文别名: 外消旋5-羟基丙戊酸钠盐；RAC 5-羟基丙戊羧酸钠盐
• 英文名称: 5-Hydroxyvalproic acid
• 英文别名: 5-hydroxy-2-propylpentanoic acid
• CAS: 53660-23-4
• 化学式: C₈H₁₆O₃
• mdl: MFCD02258669
• 分子量: 160.21
• InChiKey: ZIWBCJXKYKOLJK-UHFFFAOYSA-N

物化性质

• 熔点：
  55-60oC
• 沸点：
  291.2±23.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO（轻微溶解）、甲醇（轻微溶解、加热、超声处理）、水（轻微溶解、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

代谢

5-羟基戊丙酸是戊酸的一个已知的人体代谢物。

5-Hydroxyvalproate is a known human metabolite of valproic acid.

来源:NORMAN Suspect List Exchange

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  RAC5-羟基丙戊羧酸钠盐 、 N-甲基-N-(三甲基硅烷基)三氟乙酰胺 生成 2-Propyl-5-hydroxypentanoic acid, diTMS
  参考文献：
  名称：

  TATSUHARA, TOHORU;MURO, HIDEKI;MATSUDA, YOSHIHIRO;IMAI, YOUKO, J. CHROMATOGR., 399,(1987) 183-195

  摘要：

  DOI：
• 作为产物：
  描述：

  (2,3,4,5,6-pentafluorophenyl)methyl 3-oxo-2-propylpentanoate 生成 RAC5-羟基丙戊羧酸钠盐
  参考文献：
  名称：

  KASSAHUN, KELEM;FARRELL, KEVIN;ZHENG, JIAOJIAO;ABBOTT, FRANK, J. CHROMATOGR. BIOMED. APPL., 527,(1990) N, C. 327-341

  摘要：

  DOI：

文献信息

• Process for producing polymerizable polybranched polyester
  申请人：Hayakawa Hitoshi

  公开号：US20060047140A1

  公开（公告）日：2006-03-02

  The present invention allows the production of a polymerizable hyperbranched polyester by introducing polymerizable unsaturated double bonds into the molecular terminals of a hyperbranched polyester polyol (A), which is obtained by condensation polymerization a polyhydroxy monocarboxylic acid in which there are at least two hydroxyl groups, the carbon atom adjacent to the carboxy group is saturated carbon atom, and the hydrogen atoms on said carbon atom are all substituted, by reacting the hyperbranched polyester polyol (A) and an alkyl ester of a carboxylic acid having a polymerizable unsaturated double bond (B) by a transesterification in the presence of at least one type of transesterification catalyst (C) selected from the group consisting of a dialkyl tin oxide and a stanoxane, without causing side reactions such as nucleophilic addition reactions of terminal hydroxyl groups to polymerizable unsaturated double bonds of the hyperbranched polyester polyol (A), or thermal polymerization of the polymerizable unsaturated double bonds. The polymerizable hyperbranched polyester can be produced at high efficiency using a transesterification that uses as an alkyl ester of a carboxylic acid having a polymerizable unsaturated double bond (B), which is easily obtained as an industrial raw material, and without altering the original backbone structure of the molecular chains of the hyperbranched polyester polyol (A) by hydrolysis and so forth.

  本发明通过在超支化聚酯多元醇（A）的分子端引入可聚合不饱和双键，从而允许生产可聚合的超支化聚酯。超支化聚酯多元醇（A）是通过缩聚至少含有两个羟基的聚羟基一元羧酸（羧基相邻的碳原子是饱和碳原子，该碳原子上的氢原子均被取代）而获得的。在至少一种转酯化催化剂（C）的存在下，通过将超支化聚酯多元醇（A）和具有可聚合不饱和双键的羧酸烷基酯（B）进行酯交换反应，而不引起末端羟基对超支化聚酯多元醇（A）的可聚合不饱和双键的亲核加成反应或热聚合反应等副反应，就可以高效地生产可聚合的超支化聚酯。使用作为工业原料易于获得的具有可聚合不饱和双键的羧酸烷基酯（B）进行酯交换反应，无需通过水解等改变超支化聚酯多元醇（A）的分子链的原始骨架结构。
• PROCESS OF SEPARATING GASES USING POLYIMIDE MEMBRANES
  申请人：Liu Chunqing

  公开号：US20120323059A1

  公开（公告）日：2012-12-20

  The present invention discloses a new type of polyimide membrane with high permeances and high selectivities for gas separations and particularly for CO 2 /CH 4 and H 2 /CH 4 separations. The polyimide membranes have CO 2 permeability of 50 Barrers or higher and single-gas selectivity for CO 2 /CH 4 of 15 or higher at 50° C. under 791 kPa for CO 2 /CH 4 separation. The polyimide membranes have UV cross-linkable functional groups and can be used for the preparation of UV cross-linked polyimide membranes having CO 2 permeability of 20 Barrers or higher and single-gas selectivity for CO 2 /CH 4 of 35 or higher at 50° C. under 791 kPa for CO 2 /CH 4 separation.

  本发明揭示了一种新型的聚酰亚胺膜，具有高通透性和高选择性，特别适用于CO2/CH4和H2/CH4气体分离。聚酰亚胺膜在50℃下，在791 kPa的CO2/CH4分离条件下，CO2渗透率达到50 Barrers或更高，CO2/CH4的单气体选择性达到15或更高。聚酰亚胺膜具有UV交联功能基团，可用于制备UV交联聚酰亚胺膜，其在50℃下，在791 kPa的CO2/CH4分离条件下，CO2渗透率达到20 Barrers或更高，CO2/CH4的单气体选择性达到35或更高。
• Brain-specific drug delivery
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0218300A2

  公开（公告）日：1987-04-15

  The invention provides compounds adapted for the site-specific/sustained delivery of a centrally acting drug species to the brain having the formula [D-DHC] and the non- toxic pharmaceutically acceptable salts thereof, wherein [D] is a centrally acting drug species containing at least one reactive -OH, -COOH, -SH, -NH- or -NH2 functional group and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating lipoidal form of a dihydropyridine ⇒ pyridinium salt redox carrier comprising a dihydroquinoline or dihydroisoquinoline ring system, a carbon atom of the nitrogen-containing ring portion of said ring system being connected via a bridging group to a reactive -OH, -COOH, -SH, -NH- or -NH2 functional group in the centrally acting drug species. The corresponding quaternary derivatives are also described.

  本发明提供了适用于向脑部定点/持续递送具有式[D-DHC]的中枢作用药物种类的化合物及其无毒药学上可接受的盐，其中[D]是含有至少一个活性-OH、-COOH、-SH、-NH-或-NH2官能团的中枢作用药物种类，[DHC]是还原的、可生物氧化的、二氢吡啶⇒吡啶鎓盐氧化还原载体的脂质形式，该载体包含二氢喹啉或二氢异喹啉环系统，所述环系统含氮环部分的碳原子通过桥基与中枢作用药物种类中的活性-OH、-COOH、-SH、-NH-或-NH2 官能团相连。还描述了相应的季衍生物。
• Pharmaceutical formulations for parenteral use
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0335545A2

  公开（公告）日：1989-10-04

  Aqueous parenteral solutions of drugs which are insoluble or only sparingly'soluble in water and/or which are unstable in water, combined with a hydroxypropyl,hydroxyethyl, glucosyl, maltosyl or maltotriosyl derivative of 3-or γ-cyclodextrin, provide a means for alleviating problems associated with drug precipitation at the injection site and/or in the lungs or other organs following parenteral administration.

  不溶于水或只能少量溶于水和/或在水中不稳定的药物的肠外水溶液与 3-或 γ-环糊精的羟丙基、羟乙基、葡糖基、麦芽糖基或麦芽三糖基衍生物结合使用，可以缓解肠外给药后药物在注射部位和/或肺部或其他器官沉淀的问题。
• Redox systems for brain-targeted drug delivery
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0327766A2

  公开（公告）日：1989-08-16

  Inclusion complexes of hydroxypropyl, hydroxyethyl, glucosyl, maltosyl or maltotriosyl derivatives of β- or γ-cyclodextrin with the reduced, biooxidizable, blood-brain barrier penetrating, lipoidal forms of dihydropyridine = pyridinium salt redox systems for brain-targeted drug delivery provide a means for stabilizing the redox systems, particularly against oxidation. The redox inclusion complexes also provide a means for decreasing initial drug concentrations in the lungs after administration of the systems, leading to decreased toxicity. In selected instances, complexation results in substantially improved water solubility of the redox systems as well.

  β-或γ-环糊精的羟丙基、羟乙基、葡糖基、麦芽糖基或麦芽三糖基衍生物与还原型、可生物氧化、可穿透血脑屏障、类脂形式的二氢吡啶＝吡啶鎓盐氧化还原体系的包合物为脑靶向给药提供了一种稳定氧化还原体系，特别是防止氧化的方法。氧化还原包合物还能降低给药后肺部的初始药物浓度，从而降低毒性。在某些情况下，络合物还能大大提高氧化还原体系的水溶性。