2-乙基-2-巯基丁酸 | 52988-77-9

• 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: 2-乙基-2-巯基丁酸
• 英文名称: 2-mercapto-2-ethylbutyric acid
• 英文别名: 2-ethyl-2-mercapto-butyric acid；2-Aethyl-2-mercapto-buttersaeure；α-Mercapto-diaethylessigsaeure；3-Methylsaeure-pentanthiol-(3)；2-Mercapto-2-ethyl-buttersaeure；2-Mercapto-2-ethylbuttersaeure；2-Mercapto-2-ethyl butyric acid；2-ethyl-2-sulfanylbutanoic acid
• CAS: 52988-77-9
• 化学式: C₆H₁₂O₂S
• mdl: MFCD19228279
• 分子量: 148.226
• InChiKey: RHWVWTFNVRDIOU-UHFFFAOYSA-N

物化性质

• 熔点：
  35-37 °C
• 沸点：
  122-125 °C(Press: 14 Torr)
• 密度：
  1.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-乙基-2-巯基丁酸 在 硫酸 作用下， 生成 2-ethyl-2-(2-amino-ethylsulfanyl)-butyric acid ethyl ester
  参考文献：
  名称：

  US2755278

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴二乙基乙酸 在 ammonium hydroxide 、 水 作用下， 生成 2-乙基-2-巯基丁酸
  参考文献：
  名称：

  Preparation and Chlorinolysis of α-Mercaptodiethylacetic Acid

  摘要：

  DOI：

  10.1021/ja01138a508

文献信息

• [EN] USE OF STRUCTURALLY ENHANCED FATTY ACIDS CONTAINING SULPHUR FOR PREVENTING AND/OR TREATING NON-ALCOHOLIC STEATOHEPATITIS<br/>[FR] UTILISATION D'ACIDES GRAS STRUCTURELLEMENT AMÉLIORÉS CONTENANT DU SOUFRE POUR PRÉVENIR ET/OU TRAITER LA STÉATOSE HÉPATIQUE NON ALCOOLIQUE
  申请人：PRONOVA BIOPHARMA NORGE AS

  公开号：WO2016173923A1

  公开（公告）日：2016-11-03

  The present disclosure relates to a method of preventing and/or treating non-alcoholic steatohepatitis in a subject in need thereof, comprising administering to the subject a pharmaceutically effective amount of a compound of Formula (II): wherein R1, R2, R3, X and Y are as defined in the specification; or a pharmaceutically acceptable salt, solvate, or solvate of such a salt. More particularly, the present disclosure relates to a method of preventing and/or treating non- alcoholic steatohepatitis in a subject in need thereof, comprising administering to the subject a pharmaceutically effective amount of a compound of Formula (I): wherein R2, R3, and X, are as defined in the specification; or a pharmaceutically acceptable salt, solvate, or solvate of such a salt. Further, the present invention relates to a compound of Formula (I) for preventing and/or treating non-alcoholic steatohepatitis, wherein R2, R3 and X are as defined in the specification; or a pharmaceutically acceptable salt, solvate, or solvate of such a salt.

  本公开涉及一种预防和/或治疗需要的受试者中的非酒精性脂肪性肝炎的方法，包括向受试者投予化合物的药效量，该化合物的化学式为（II）：其中R1、R2、R3、X和Y如规范中定义；或者该盐的药用可接受的溶剂、溶剂或该盐的溶剂的药用可接受的盐。更具体地，本公开涉及一种预防和/或治疗非酒精性脂肪性肝炎的方法，包括向受试者投予化合物的药效量，该化合物的化学式为（I）：其中R2、R3和X如规范中定义；或者该盐的药用可接受的溶剂、溶剂或该盐的溶剂的药用可接受的盐。此外，本发明涉及一种化合物的化学式（I），用于预防和/或治疗非酒精性脂肪性肝炎，其中R2、R3和X如规范中定义；或者该盐的药用可接受的溶剂、溶剂或该盐的溶剂的药用可接受的盐。
• Derivatized 3,4-Alkylenedioxythiophene Monomers, Methods of Making Them, and Use Thereof
  申请人：Yeisley Shawn

  公开号：US20090008609A1

  公开（公告）日：2009-01-08

  The present invention relates to methods of making derivatized 3,4-alkylenedioxythiophene monomers and methods of using the 3,4-alkylenedioxythiophene monomers.

  本发明涉及制备衍生化3,4-烷基二氧杂苯单体的方法以及使用3,4-烷基二氧杂苯单体的方法。
• NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT
  申请人：Holmeide Anne Kristin

  公开号：US20110190395A1

  公开（公告）日：2011-08-04

  The present disclosure relates to lipid compounds of general formula (I) wherein R 1 is chosen from a C 10 -C 22 alkyl group, a C 10 -C 22 alkenyl group having 1-6 double bonds, and a C 10 -C 22 alkynyl group having 1-6 triple bonds; R 2 and R 3 are the same or different and may be selected from different substituents; Y is chosen from sulphur, sulfoxide, and sulfone; and X is a carboxylic acid or a derivative thereof, a carboxylic ester, a carboxylic anhydride, or a carboxamide; or a pharmaceutically acceptable salt, complex, or solvate thereof. The present disclosure also relates to pharmaceutical compositions and lipid compositions comprising such compounds, and methods of using such compounds such as for treating diseases related to cardiovascular, metabolic, and/or inflammatory diseases.

  本公开涉及通式（I）的脂质化合物，其中R1选择自C10-C22烷基，具有1-6个双键的C10-C22烯基，和具有1-6个三键的C10-C22炔基；R2和R3相同或不同，可以选择不同的取代基；Y选择自硫、亚硫酸和磺酰基；X是羧酸或其衍生物、羧酸酯、羧酸酐或羧酰胺；或其药学上可接受的盐、复合物或溶剂化物。本公开还涉及包含这种化合物的制药组合物和脂质组合物，以及使用这种化合物的方法，例如用于治疗与心血管、代谢和/或炎症相关的疾病。
• Preparation Method of 3,4-Ethylenedioxythiophene
  申请人：Liang Nai-Yun

  公开号：US20130023673A1

  公开（公告）日：2013-01-24

  A method of preparing 3,4-ethylenedioxythiophene is provided. The preparation is performed by microwave heating to greatly increase the yield and decrease the reaction time, energy consumption, solvent usage, and environmental damage.

  提供了一种制备3,4-乙烯二氧基噻吩的方法。该制备方法通过微波加热进行，可以大大提高产量，缩短反应时间，降低能量消耗、溶剂使用量和环境损害。
• Sulphur containing lipids for use as food supplement or as medicament
  申请人：Holmeide Anne Kristin

  公开号：US08759558B2

  公开（公告）日：2014-06-24

  The present invention relates to lipid compounds of the general formula (I): wherein R1 is selected from a C10-C22 alkyl, a C10-C22 alkenyl having 1-6 double bonds, and a C10-C22alkynyl having 1-6 triple bonds; R2 and R3 are the same or different and may be selected from a group of different substituents; Y is selected from sulphur, sulfoxide, and sulfone; and X represents a carboxylic acid or a derivative thereof, a carboxylic ester, a carboxylic anhydride or a carboxamide; or a pharmaceutically acceptable salt, complex or solvate thereof. The invention also relates to pharmaceutical compositions and lipid compositions comprising such compounds, and to such compounds for use as medicaments or for use in therapy, in particular for the treatment of diseases related to the cardiovascular, metabolic and inflammatory disease area.

  本发明涉及通式（I）的脂质化合物：其中R1选自C10-C22烷基，具有1-6个双键的C10-C22烯基和具有1-6个三键的C10-C22炔基；R2和R3相同或不同，可以从不同的取代基组中选择；Y选自硫、亚砜和磺酰；X代表羧酸或其衍生物、羧酸酯、羧酸酐或羧酰胺；或其药学上可接受的盐、络合物或溶剂化物。本发明还涉及包含这种化合物的制药组合物和脂质组合物，以及这种化合物作为药物或用于治疗，尤其是用于治疗与心血管、代谢和炎症相关的疾病。