乙基4-(乙酰基硫代)丁酸酯 | 104228-51-5

• 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: 乙基4-(乙酰基硫代)丁酸酯
• 中文别名: 乙基4-(乙酰基硫基)丁酸酯
• 英文名称: ethyl 4-(acetylthio)butyrate
• 英文别名: ethyl 4-(acetylthio)butanoate；ethyl 4-acetylsulfanylbutanoate
• CAS: 104228-51-5
• 化学式: C₈H₁₄O₃S
• 分子量: 190.263
• InChiKey: AKUUBUQNHOTPHG-UHFFFAOYSA-N

物化性质

• 沸点：
  257.9±23.0 °C(Predicted)
• 密度：
  1.086±0.06 g/cm3(Predicted)
• LogP：
  1.74
• 物理描述：
  colourless to pale yellow liquid; meaty aroma
• 溶解度：
  Insoluble in water; soluble in non-polar solvents
• 折光率：
  1.468-1.472

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙基4-(乙酰基硫代)丁酸酯 在 氯 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 4-(chlorosulfonyl)butanoic acid ethyl ester
  参考文献：
  名称：

  Design of potent inhibitors of human β-secretase. Part 1

  摘要：

  We describe a novel series of potent inhibitors of human beta-secretase. These compounds possess the hydroxyethyl amine transition state isostere. A 2.5A crystal structure of inhibitor 32 bound to BACE is provided.

  DOI：

  10.1016/j.bmcl.2006.09.092
• 作为产物：
  描述：

  4-溴丁酸乙酯 、 potassium thioacetate 以 四氢呋喃 为溶剂， 生成 乙基4-(乙酰基硫代)丁酸酯
  参考文献：
  名称：

  Design of potent inhibitors of human β-secretase. Part 1

  摘要：

  We describe a novel series of potent inhibitors of human beta-secretase. These compounds possess the hydroxyethyl amine transition state isostere. A 2.5A crystal structure of inhibitor 32 bound to BACE is provided.

  DOI：

  10.1016/j.bmcl.2006.09.092

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• 22-THIAVITAMIN D 3 DERIVATIVE
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP0755922A1

  公开（公告）日：1997-01-29

  A compound represented by general formula (I) and an intermediate therefor, and a process for synthesizing the both, wherein R1 represents optionally hydroxylated C1-C10 alkyl; R2 represents hydrogen or hydroxy; and R3 represents hydrogen or hydroxy. It is a vitamin D derivative substituted by a sulfur atom at the 22-position and has a potent keratinocyte growth inhibitor effect.

  一种由通式（I）代表的化合物及其中间体，以及合成二者的工艺，其中 R1 代表任选羟基化的 C1-C10 烷基；R2 代表氢或羟基；R3 代表氢或羟基。 它是一种在 22 位被硫原子取代的维生素 D 衍生物，具有强效的角朊细胞生长抑制作用。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。
• High intensity sweeteners
  申请人：Firmenich Incorporated

  公开号：US11357246B2

  公开（公告）日：2022-06-14

  Disclosed herein are compounds having structural Formula (I), or salts thereof. These compounds are useful as sweet tasting agents and/or sweetness enhancers. Also disclosed are compositions comprising the present compounds and methods of increasing the sweet taste of ingestible compositions. Furthermore, methods for preparing the compounds are also disclosed.

  本文公开了具有结构式（I）的化合物或其盐类。这些化合物可用作甜味剂和/或甜味增强剂。还公开了包含本化合物的组合物以及增加可食用组合物甜味的方法。此外，还公开了制备这些化合物的方法。