3-isopentylsulfanyl-propionic acid | 90201-36-8

• 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: 3-isopentylsulfanyl-propionic acid
• 英文别名: 3-Isopentylmercapto-propionsaeure；3-(3-Methylbutylsulfanyl)propanoic acid
• CAS: 90201-36-8
• 化学式: C₈H₁₆O₂S
• 分子量: 176.28
• InChiKey: JKOJBWDOOWYWFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-isopentylsulfanyl-propionic acid 在 Oxone 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成
  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：

  3-氯丙酸 、 异戊硫醇 生成 3-isopentylsulfanyl-propionic acid
  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

• Rhizoxin derivates and their use as anti-tumor agents
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0350315A1

  公开（公告）日：1990-01-10

  Rhizoxin and rhizoxin-2-ene derivatives of formula (I): [in which: n is 1 to 25; A is an extra bond or oxygen, X is oxygen, sulphur, nitrogen or carbonyl; and R is hydrogen, carboxylic acyl having from 1 to 25 carbon atoms, alkoxycarbonyl group having from 2 to 26 carbon atoms, phosphono, alkylphosphono group in which the alkyl part has from 1 to 25 carbon atoms, dialkyl­phosphono group in which each alkyl part has from 1 to 25 carbon atoms, alkyl group having from 1 to 25 carbon atoms, aralkyl, cycloalkyl, heterocyclic, alkylthio group in which the alkyl part has from 1 to 25 carbon atoms, aralkylthio, or heterocyclylthio, or when X represents a nitrogen atom, R is R¹ and R², where R¹ and R² are hydrogen, alkyl, acyl, alkoxycarbonyl, phosphono, alkylphosphono or dialkylphosphono] have valuable anti-tumour activity. They may be prepared by acylation of rhizoxin or rhizoxin-2-ene.

  式(I)的根肿灵和根肿灵-2-烯衍生物： 其中n 为 1 至 25；A 为额外键或氧，X 为氧、硫、氮或羰基；和 R 是氢、具有 1 至 25 个碳原子的羧酰基、具有 2 至 26 个碳原子的烷氧羰基、膦酰基、烷基膦酰基（其中烷基部分具有 1 至 25 个碳原子）、二烷基膦酰基（其中每个烷基部分具有 1 至 25 个碳原子）、具有 1 至 25 个碳原子的烷基、或当 X 代表氮原子时，R 为 R¹ 和 R²，其中 R¹ 和 R²为氢、烷基、酰基、烷氧羰基、膦酰基、烷基膦酰基或二烷基膦酰基]具有重要的抗肿瘤活性。它们可通过 rhizoxin 或 rhizoxin-2-ene 的酰化反应制备。
• Limonene-based, non-halogenated flame retardants for polymeric applications
  申请人：International Business Machines Corporation

  公开号：US10556919B2

  公开（公告）日：2020-02-11

  A limonene-based flame-retardant compound, a method of making a flame-retardant polymer, and an article of manufacture comprising a material that includes a limonene-based flame-retardant compound. In an embodiment, the method includes forming a limonene-based derivative; forming a phosphorus-based flame-retardant molecule; reacting the limonene-based derivative with the phosphorus-based flame-retardant molecule to form a limonene-based flame-retardant compound; and forming a flame-retardant polymer from the limonene-based flame-retardant compound. In some embodiments, the limonene-based flame-retardant compound has variable functionality including vinyl, epoxide, methylene bridges, and thioethers.

  一种柠檬烯基阻燃化合物、一种制造阻燃聚合物的方法，以及一种由包括柠檬烯基阻燃化合物的材料构成的制品。在一个实施方案中，该方法包括形成柠檬烯基衍生物；形成磷基阻燃剂分子；使柠檬烯基衍生物与磷基阻燃剂分子反应形成柠檬烯基阻燃剂化合物；以及由柠檬烯基阻燃剂化合物形成阻燃聚合物。在某些实施例中，柠檬烯基阻燃化合物具有可变官能度，包括乙烯基、环氧基、亚甲基桥和硫醚。
• Nagakubo et al., Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1959, vol. 62, p. 817
  作者：Nagakubo et al.

  DOI：——

  日期：——
• LIMONENE-BASED, NON-HALOGENATED FLAME RETARDANTS FOR POLYMERIC APPLICATIONS
  申请人：International Business Machines Corporation

  公开号：US20190169213A1

  公开（公告）日：2019-06-06

  A limonene-based flame-retardant compound, a method of making a flame-retardant polymer, and an article of manufacture comprising a material that includes a limonene-based flame-retardant compound. In an embodiment, the method includes forming a limonene-based derivative; forming a phosphorus-based flame-retardant molecule; reacting the limonene-based derivative with the phosphorus-based flame-retardant molecule to form a limonene-based flame-retardant compound; and forming a flame-retardant polymer from the limonene-based flame-retardant compound. In some embodiments, the limonene-based flame-retardant compound has variable functionality including vinyl, epoxide, methylene bridges, and thioethers.
• US5352689A
  申请人：——

  公开号：US5352689A

  公开（公告）日：1994-10-04