(2S)-2-(3-甲基丁酰基氨基)戊二酸 | 80154-63-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (2S)-2-(3-甲基丁酰基氨基)戊二酸
• 中文别名: 2-叔-丁基苯酚
• 英文名称: isovaleryl-L-glutamic acid
• 英文别名: N-Isovalerylglutamic acid；(2S)-2-(3-methylbutanoylamino)pentanedioic acid
• CAS: 80154-63-8
• 化学式: C₁₀H₁₇NO₅
• 分子量: 231.249
• InChiKey: HCVIJONZMYVLAW-ZETCQYMHSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异戊酸 、 L-谷氨酸 在 adenosine monophosphate ligase SfaB from Streptomyces thioluteus 、 5’-三磷酸腺苷 、 magnesium chloride 、 Cleland's reagent 作用下， 以 aq. buffer 为溶剂， 反应 6.0h， 生成 (2S)-2-(3-甲基丁酰基氨基)戊二酸
  参考文献：
  名称：

  重新利用3-异氰基丁酸腺苷酸化酶SfaB进行多功能酰胺化和硫酯化

  摘要：

  微生物天然产物的基因组挖掘使化学家不仅能够发现具有新颖骨架的生物活性分子，而且能够识别催化多种化学反应的酶。探索这些生物合成酶的底物混杂性和催化机理有助于开发潜在的生物催化剂。SfaB是一种形成酰基腺苷酸的酶，可在由硫链霉菌产生的二异腈自然产物SF2768的生物合成途径中，对独特的结构单元3-异氰基丁酸进行腺苷酸化。，并且该AMP连接酶被证明可以接受各种短链脂肪酸（SCFA）。在本文中，我们将SfaB重新用于催化那些SCFA与各种胺或硫醇亲核试剂之间的酰胺化或硫酯化反应，从而提供了另一种酶促方法来体外制备相应的酰胺和硫酯。

  DOI：

  10.1002/anie.202010042

文献信息

• Molecularly imprinted polymer for selectively trapping odorous molecules
  申请人：L'ORÉAL

  公开号：US10772823B2

  公开（公告）日：2020-09-15

  The invention relates to the use of molecularly imprinted polymer(s) or MIPs, of odorous molecule(s), as deodorant agent in particular for selectively trapping molecules that are the cause of human body odour. More particularly by using MIPs which may be obtained via polymerization, preferably via radical polymerization, of a mixture of: i) optionally one or more polymerization initiator(s); ii) one or more functional monomer(s); iii) one or more crosslinking agent(s); and iv) one or more porogenic solvent(s); it being understood that the polymerization a) or b) is performed in the presence v) of one or more “templates” of target molecule(s) responsible for human body odour. Another subject of the invention concerns a process for preparing MIPs as defined previously, MIPs obtained via this process, and a cosmetic composition comprising at least one MIP as defined previously. Unexpectedly, it appears that the MIPs make it possible to specifically trap precursors of odorous molecules and odorous molecules that may be used in cosmetic formulations, especially those that are the cause of the unpleasant odour of sweat.

  本发明涉及气味分子的分子印迹聚合物或 MIPs 作为除臭剂的用途，特别是用于选择性地捕获导致人体气味的分子。更具体地说，MIPs 可通过以下混合物的聚合（最好是自由基聚合）获得：i) 一种或多种聚合引发剂；ii) 一种或多种功能性单体；iii) 一种或多种交联剂；iv) 一种或多种致孔溶剂。本发明的另一个主题涉及前文定义的 MIP 制备工艺、通过该工艺获得的 MIP 以及包含至少一种前文定义的 MIP 的化妆品组合物。令人意想不到的是，MIPs 似乎可以专门捕获气味分子的前体和可用于化妆品配方的气味分子，特别是那些导致难闻汗味的分子。
• Molecularly imprinted polymer of sol-gel type for selectively trapping odorous molecules
  申请人：L'ORÉAL

  公开号：US11246823B2

  公开（公告）日：2022-02-15

  The invention relates to the use of molecularly imprinted polymer(s) or MIPs, of odorous molecule(s), as deodorant agent in particular for selectively trapping molecules that are the cause of human body odour. More particularly by using MIPs which may be obtained via polymerization of “sol-gel” type; it being understood that the polymerization is performed in the presence v) of one or more “templates” of target molecule(s) responsible for human body odour. Another subject of the invention concerns a NI process for preparing MIPs as defined previously, MIPs obtained via this process, and a cosmetic composition comprising at least one MIP as defined previously. Unexpectedly, it appears that the MIPs make it possible to specifically trap precursors of odorous molecules and odorous molecules that may be used in cosmetic formulations, especially those that are the cause of the unpleasant odour of sweat.

  本发明涉及使用有气味分子的分子印迹聚合物或 MIPs 作为除臭剂，特别是选择性地捕获导致人体气味的分子。更特别的是，MIPs 可通过 "溶胶-凝胶 "型聚合反应获得；不言而喻，聚合反应是在一种或多种导致人体异味的目标分子 "模板 "存在的情况下进行的。本发明的另一个主题涉及一种用于制备如前定义的 MIP 的 NI 工艺、通过该工艺获得的 MIP 以及包含至少一种如前定义的 MIP 的化妆品组合物。出乎意料的是，MIPs 似乎可以特异性地捕获气味分子的前体和可用于化妆品配方的气味分子，特别是那些导致难闻汗味的分子。
• MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES
  申请人：L'OREAL

  公开号：EP2938654A1

  公开（公告）日：2015-11-04
• MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES
  申请人：L'OREAL

  公开号：EP2938402A1

  公开（公告）日：2015-11-04
• [EN] MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES<br/>[FR] POLYMÈRE À EMPREINTE MOLÉCULAIRE POUR PIÉGER SÉLECTIVEMENT DES MOLÉCULES ODORANTES
  申请人：OREAL

  公开号：WO2014102077A1

  公开（公告）日：2014-07-03

  The invention relates to the use of molecularly imprinted polymer(s) or MIPs, of odorous molecule(s), as deodorant agent in particular for selectively trapping molecules that are the cause of human body odour. More particularly by using MIPs which may be obtained via polymerization, preferably via radical polymerization, of a mixture of: i) optionally one or more polymerization initiator(s); ii) one or more functional monomer(s); iii) one or more crosslinking agent(s); and iv) one or more porogenic solvent(s); it being understood that the polymerization a) or b) is performed in the presence v) of one or more "templates" of target molecule(s) responsible for human body odour. Another subject of the invention concerns a process for preparing MIPs as defined previously, MIPs obtained via this process, and a cosmetic composition comprising at least one MIP as defined previously. Unexpectedly, it appears that the MIPs make it possible to specifically trap precursors of odorous molecules and odorous molecules that may be used in cosmetic formulations, especially those that are the cause of the unpleasant odour of sweat.