(E)-dodec-4-enoic acid | 55928-67-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-dodec-4-enoic acid
• 英文别名: dodec-4t-enoic acid；dodec-4-enoic acid；Dodec-4t-ensaeure；Dodec-4-ensaeure；4-Dodecenoic acid
• CAS: 55928-67-1
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: GCORITRBZMICMI-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-dodec-4-enoic acid 生成 (E)-4-dodecenoic acid methyl ester
  参考文献：
  名称：

  Iwakiri, Nippon Kagaku Zasshi, 1958, vol. 79, p. 910,913

  摘要：

  DOI：
• 作为产物：
  描述：

  正辛醛 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 生成 (E)-dodec-4-enoic acid
  参考文献：
  名称：

  刘易斯碱/布朗斯台德酸与酸控制的发散区域选择性共催化烯烃的不对称硫代反应。

  摘要：

  基于路易斯碱/布朗斯台德酸共催化的均烯丙基酸的硫醇化反应，开发了一种简便制备各种对映体富集的苯硫基取代的内酯的策略。探索了酸控制的区域发散环化（6-endo vs. 5-exo）和苯硫基取代的内酯的酸介导的立体选择性重排。进行了实验和计算研究以阐明区域选择性和对映选择性的起源。计算结果表明，CO和CS键的形成可能会同时发生，而不会形成通常认为的催化剂配位的硫鎓离子中间体，而且底物和SPh之间的潜在π-π堆积是对映确定步骤的重要因素。最后，

  DOI：

  10.1002/chem.201904028

文献信息

• [EN] LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS<br/>[FR] PROMÉDICAMENTS LIPIDIQUES ORIENTANT VERS LE SYSTÈME LYMPHATIQUE
  申请人：ARIYA THERAPEUTICS INC

  公开号：WO2019046491A1

  公开（公告）日：2019-03-07

  The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a provided lipid prodrug or a pharmaceutical composition thereof.

  本发明提供了淋巴系统定向脂质前药，其制药组合物，制备这种前药和组合物的方法，以及改善作为脂质前药一部分的治疗剂的生物利用度或其他性质的方法。本发明还提供了治疗疾病、紊乱或症状的方法，包括向需要的患者施用所提供的脂质前药或其制药组合物。
• [EN] LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF<br/>[FR] PROMÉDICAMENTS LIPIDIQUES DE NEUROSTÉROÏDES DE PRÉGNANE ET LEURS UTILISATIONS
  申请人：PURETECH HEALTH LLC

  公开号：WO2020028787A1

  公开（公告）日：2020-02-06

  The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a disclosed lipid prodrug or a pharmaceutical composition thereof.

  本发明提供了淋巴系统定向脂质前药，以及其制药组合物、生产这种前药和组合物的方法，以及改善作为脂质前药一部分的治疗剂的生物利用度或其他性质的方法。本发明还提供了治疗疾病、紊乱或症状的方法，包括向需要的患者施用所述的脂质前药或其制药组合物。
• METHOD FOR THE SYNTHESIS OF OMEGA-AMINO-ALKANOIC ACIDS
  申请人：Dubois Jean-Luc

  公开号：US20100168453A1

  公开（公告）日：2010-07-01

  The invention relates to a method for the synthesis of amino acids/esters of general formula NH 2 —(CH 2 ) n —COOR in which n is an integer between 5 and 14, and R is either H or an alkyl radical including from 1 to 4 carbon atoms, from natural long-chain mono-unsaturated fatty acids or esters including at least 10 adjacent carbon atoms per molecule, said method comprising: first converting, if necessary, said natural long-chain fatty acid or ester into a monounsaturated fatty acid/ester of general formula R 1 —(CH 2 ) m —CH═CH—(CH 2 ) p —COOR in which R 1 is H, CH 3 or a COOR radical, m is an integer between 0 and 14 and p is an integer between 2 and 11, then submitting the latter to a crossed catalytic metathesis reaction with a compound of formula R 2 —CH═CH—R 3 in which R 2 is either H or CN and R 3 is CN or CH 2 NH 2 , provided that if R 2 is CN, R 3 can be only CN, and finally converting the resulting product of the general formula R 3 —CH═CH—(CH 2 ) p —COOR into an amino-acid, either by hydrogenation, or by hydrogenation of the triple terminal bond, or by amination of the double terminal bond.

  本发明涉及一种合成通式为NH2—(CH2)n—COOR的氨基酸/酯的方法，其中n为5至14之间的整数，R为H或包括1至4个碳原子的烷基基团，所述方法包括：首先，如果必要，将天然长链脂肪酸或酯转化为通式为R1—(CH2)m—CH═CH—(CH2)p—COOR的单不饱和脂肪酸/酯，其中R1为H，CH3或COOR基团，m为0至14之间的整数，p为2至11之间的整数；然后，将后者与通式为R2—CH═CH—R3的化合物进行交叉催化复分解反应，其中R2为H或CN，R3为CN或CH2NH2，如果R2为CN，则R3只能为CN；最后，将得到的通式为R3—CH═CH—(CH2)p—COOR的产品转化为氨基酸，可以通过氢化，或通过氢化末端的三键，或通过末端的双键的氨基化来实现。
• COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS
  申请人：Chodorowski-Kimmes Sandrine

  公开号：US20100239509A1

  公开（公告）日：2010-09-23

  The present patent application relates to a cosmetic or dermatological composition comprising, in a cosmetically or dermatologically acceptable medium, a polymer comprising: (a) a polymer backbone that may be obtained by reaction: of a polyol comprising 3 to 6 hydroxyl groups; of a monocarboxylic acid containing 6 to 32 carbon atoms; of a polycarboxylic acid comprising at least two carboxylic groups COOH, and/or of a cyclic anhydride such as a polycarboxylic acid and/or of a lactone comprising at least one carboxylic group COOH; and (b) at least one junction group linked to the said polymer backbone and capable of establishing H bonds with one or more partner junction groups, each pairing of a junction group involving at least three H (hydrogen) bonds. The patent application also concerns a cosmetic treatment process using the said composition.

  本专利申请涉及一种化妆品或皮肤科学组合物，包括在化妆品或皮肤科学上可接受的介质中，包含以下聚合物的组合物：(a) 由以下反应得到的聚合物骨架：含有3至6个羟基的多元醇；含有6至32个碳原子的一元羧酸；至少含有两个羧基COOH的多元羧酸，和/或类似多元羧酸的环酐和/或至少含有一个羧基COOH的内酯；以及(b) 至少一个连接到所述聚合物骨架的连接基团，并能够与一个或多个配对连接基团建立H键，每个连接基团的配对涉及至少三个H（氢）键。该专利申请还涉及使用所述组合物的化妆品处理过程。
• [EN] LIPID PRODRUGS OF NEUROSTEROIDS<br/>[FR] PROMÉDICAMENTS LIPIDIQUES DE NEUROSTÉROÏDES
  申请人：PURETECH LYT INC

  公开号：WO2021159021A1

  公开（公告）日：2021-08-12

  The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a disclosed lipid prodrug or a pharmaceutical composition thereof.

  本发明提供了淋巴系统导向的脂质前药、其药物组合物、制备此类前药和组合物的方法，以及提高包含在脂质前药中的治疗剂的生物利用度或其他特性的方法。本发明还提供了治疗如本文所述的疾病、紊乱或状况的方法，包括向有需要的患者施用所述的脂质前药或其药物组合物。