5-羟基癸酸钠盐 | 624-00-0

• 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: 5-羟基癸酸钠盐
• 中文别名: 5-羟基癸酸钠
• 英文名称: 5-hydroxydecanoic acid
• 英文别名: 5-hydroxydecanoate；5-HD；5-Hydroxydecansaeure；Hydroxydecanoate
• CAS: 624-00-0
• 化学式: C₁₀H₂₀O₃
• mdl: MFCD04041218
• 分子量: 188.267
• InChiKey: LMHJFKYQYDSOQO-UHFFFAOYSA-N

物化性质

• 熔点：
  155-157°C
• 溶解度：
  可溶于水中
• LogP：
  1.840 (est)
• 稳定性/保质期：
  <b>远离氧化剂。</b>

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 储存条件：
  常温常压下保存。

反应信息

• 作为反应物：
  描述：

  5-羟基癸酸钠盐 在 recombinant escherichia coli BL₂₁(DE₃) expressing alcohol dehydrogenase from micrococcus luteus NCTC₂₆₆₅, Baeyer-Villiger monooxygenase from pseudomonas putida KT₂₄₄₀ 作用下， 以 aq. buffer 为溶剂， 生成 4-羟基丁酸 、 己酸
  参考文献：
  名称：

  从可再生脂肪酸和植物油中多步酶法合成长链α，ω-二羧酸和ω-羟基羧酸

  摘要：

  已成功实施了多步酶催化，以从可再生脂肪酸和植物油中生产长链α，ω-二羧酸和ω-羟基羧酸。癸二酸以及ω-羟基壬酸和ω-羟基三癸11-烯酸是由油酸和蓖麻油酸生产的。

  DOI：

  10.1002/anie.201209187
• 作为产物：
  描述：

  丁位十二内酯 在 potassium hydroxide 作用下， 生成 5-羟基癸酸钠盐
  参考文献：
  名称：

  Retrobiosynthetic Approach Delineates the Biosynthetic Pathway and the Structure of the Acyl Chain of Mycobacterial Glycopeptidolipids

  摘要：

  Glycopeptidolipids (GPLs) are dominant cell surface molecules present in several non-tuberculous and opportunistic mycobacterial species. GPLs from Mycobacterium smegmatis are composed of a lipopeptide core unit consisting of a modified C-26-C-34 fatty acyl chain that is linked to a tetrapeptide (Phe-Thr-Ala-alaninol). The hydroxyl groups of threonine and terminal alaninol are further modified by glycosylations. Although chemical structures have been reported for 16 GPLs from diverse mycobacteria, there is still ambiguity in identifying the exact position of the hydroxyl group on the fatty acyl chain. Moreover, the enzymes involved in the biosynthesis of the fatty acyl component are unknown. In this study we show that a bimodular polyketide synthase in conjunction with a fatty acyl-AMP ligase dictates the synthesis of fatty acyl chain of GPL. Based on genetic, biochemical, and structural investigations, we determine that the hydroxyl group is present at the C-5 position of the fatty acyl component. Our retrobiosynthetic approach has provided a means to understand the biosynthesis of GPLs and also resolve the long-standing debate on the accurate structure of mycobacterial GPLs.

  DOI：

  10.1074/jbc.m112.384966

文献信息

• [EN] PHOSPHORIC ACID ESTERS AND THEIR USE AS WETTING AND DISPERSING AGENT<br/>[FR] ESTERS D'ACIDE PHOSPHORIQUE ET LEUR UTILISATION COMME AGENT MOUILLANT ET DISPERSANT
  申请人：EFKA ADDITIVES B V

  公开号：WO2005085261A1

  公开（公告）日：2005-09-15

  The invention relates to a phosphoric acid ester and salts thereof of the general formula (I), wherein A is a monohydroxyl residue derived from C1-C20-alkyl-(AO)x-OH or Acyl-(AO)x-OH; or C1-C20-alkyl -(AO)x-(HA)y-OH or Acyl-(AO)x-(HA)y-OH; or C1-C20-alkyl -(AO)x-(AA-AO)y-OH or Acyl-(AO)x-(AA-AO)y-OH; or MO -(HA)y-OH or MO-(AA-AO)y-OH; wherein Acyl is an aromatic carboxylic acid residue or a saturated or unsaturated fatty acid residue; AO is a polyC2-C4alkyleneglycol residue, HA is a hydroxycarboxylic acid or a lactone thereof, AA is a dicarboxylic acid, MO is a monoalcohol, x is 1 to 250, y is 1 to 250, B is a mono-, di-, or tri- or polyhydroxy di-, tri or multi-carboxylic acid residue which is linked via the hydroxy group to the phosphoric acid and via one of the carboxylic acid groups to the monohydroxyl residue [A], the remaining carboxyl acid group(s) is/are free or is/are esterified with a further monohydroxyl residue [A], resulting in branched esters; n is 1-2; m is 1-4. The phosphoric acid esters are used as wetting agent or dispersants.

  该发明涉及一种磷酸酯及其盐，其通式为(I)，其中A是由C1-C20-烷基-(AO)x-OH或酰基-(AO)x-OH衍生的单羟基残基；或C1-C20-烷基-(AO)x-(HA)y-OH或酰基-(AO)x-(HA)y-OH；或C1-C20-烷基-(AO)x-(AA-AO)y-OH或酰基-(AO)x-(AA-AO)y-OH；或MO-(HA)y-OH或MO-(AA-AO)y-OH；其中酰基是芳香族羧酸残基或饱和或不饱和脂肪酸残基；AO是聚C2-C4烷基二醇残基，HA是羟基羧酸或其内酯，AA是二羧酸，MO是单醇，x为1至250，y为1至250，B是通过羟基与磷酸酯相连的单羟基残基[A]，其余羧基是自由的或与另一单羟基残基[A]酯化，形成支链酯；n为1-2；m为1-4。该磷酸酯用作润湿剂或分散剂。
• NOVEL ALKANETHIOIC ACID DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME
  申请人：T. HASEGAWA CO., LTD.

  公开号：US20200290958A1

  公开（公告）日：2020-09-17

  An alkanethioic acid derivative capable of imparting a characteristic aroma or flavor to fragrances and cosmetics, and foods and beverages; and a perfume composition comprising the alkanethioic acid derivative as an active ingredient. S-alkyl 5-[(1-alkoxy)ethoxy]alkanethioate represented by formula (1), and a perfume composition comprising the S-alkyl 5-[(1-alkoxy)ethoxy]alkanethioate represented by formula (1) as an active ingredient. In the formula (1), R 1 represents an alkyl group having 1 to 9 carbon atoms, R2 represents an alkyl group having 2 to 4 carbon atoms, and R3 represents a methyl group or an ethyl group.

  一种烷硫酸衍生物，能够赋予香水、化妆品、食品和饮料特有的香气或风味；以及一种香水组合物，其包括所述烷硫酸衍生物作为活性成分。公式（1）表示的S-烷基5-[(1-烷氧基)乙氧基]烷硫酸酯，以及包括公式（1）表示的S-烷基5-[(1-烷氧基)乙氧基]烷硫酸酯作为活性成分的香水组合物。在公式（1）中，R1代表具有1至9个碳原子的烷基基团，R2代表具有2至4个碳原子的烷基基团，R3代表甲基基团或乙基基团。
• (S)-5-hydroxydecanoic acid and its therapeutic composition
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP0410446A1

  公开（公告）日：1991-01-30

  The present invention relates to a compound selected from the group consisting of (S)-5-­hydroxydecanoic acid, a salt, a solvate and a solvate of said salt thereof and relates to methods for producing the compound, comprising of inversion of the configuration and also relates to a pharmaceutical composition for treatment of cardiovascular diseases such as arrhythmia and ischemic heart diseases, or diabates.

  本发明涉及一种选择自(S)-5-羟基癸酸、盐、溶剂和该盐的溶剂的组合物的化合物，并涉及用于生产该化合物的方法，包括构象的倒转，并涉及一种用于治疗心血管疾病如心律失常和缺血性心脏病或糖尿病的药物组合物。
• Phosphate esters dispersants
  申请人：Thetford Dean

  公开号：US20050256226A1

  公开（公告）日：2005-11-17

  A dispersant which comprises the reaction product of a phosphating agent such as polyphosphoric acid and a compound of formula R—OH wherein R is a residue of a polyester and/or polyether having a polymerisation terminating group and where the ratio of each phosphorus atom of the phosphating agent to RO—H is from 1.3:1 to 3:1. The dispersants are thought to be pyrophosphates.

  这种分散剂包括磷酸化剂（如聚磷酸）和化合物R—OH（其中R是聚酯和/或聚醚的残基，具有聚合终止基团）的反应产物，其中磷酸化剂中每个磷原子与RO—H的比例为1.3:1到3:1。这些分散剂被认为是焦磷酸盐。
• [EN] DRUG CONJUGATES<br/>[FR] CONJUGUÉS DE MÉDICAMENT
  申请人：UNIV MISSOURI

  公开号：WO2009158633A1

  公开（公告）日：2009-12-30

  Conjugated compounds comprising a therapeutic or diagnostic agent linked to a substrate for a cell membrane transporter or receptor by lipophilic linker are provided.

  提供了包含治疗或诊断药物与细胞膜转运体或受体的底物通过亲脂性连接剂连接的共轭化合物。