N-{2-氨基-5-[甲酰基(甲基)氨基]-6-羰基-3,6-二氢嘧啶-4-基}-2-脱氧-β-D-赤藓-五呋喃糖基胺 | 127116-16-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: N-{2-氨基-5-[甲酰基(甲基)氨基]-6-羰基-3,6-二氢嘧啶-4-基}-2-脱氧-β-D-赤藓-五呋喃糖基胺
• 英文名称: (R)-3-methyllevulinic acid
• 英文别名: L-3-methyl-4-oxo-valeric acid；L-3-Methyl-4-oxo-valeriansaeure；(3R)-3-methyl-4-oxopentanoic acid
• CAS: 127116-16-9
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: NFIWUVRBASXMGK-SCSAIBSYSA-N

物化性质

• 沸点：
  241.5±0.0 °C(Predicted)
• 密度：
  1.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (S)-(Z,E,E)-4-methylgeranylgeranyl diphosphate 在 甲酸 、 双氧水 、 臭氧 作用下， 反应 4.0h， 生成 N-{2-氨基-5-[甲酰基(甲基)氨基]-6-羰基-3,6-二氢嘧啶-4-基}-2-脱氧-β-D-赤藓-五呋喃糖基胺
  参考文献：
  名称：

  Undecaprenyl diphosphate synthase reaction with artificial substrate homologues — novel behavior in the termination of prenyl chain elongation

  摘要：

  DOI：

  10.1016/s0040-4020(01)85127-9

文献信息

• Selective PYY compounds and uses thereof
  申请人：Novo Nordisk A/S

  公开号：US20150152150A1

  公开（公告）日：2015-06-04

  The invention relates to PYY compounds having the amino acid in the position corresponding to position 30 of hPYY(1-36) substituted with tryptophan and derivatives thereof with a modifying group attached to the position corresponding to position 7 of hPYY(1-36). The compounds of the invention are selective Y2 receptor agonists. The invention also relates to pharmaceutical compositions comprising such PYY compounds and pharmaceutically acceptable excipients, as well as the medical use of the PYY compounds.

  本发明涉及到PYY化合物，其氨基酸在与hPYY（1-36）第30个位置相对应的位置上被替换为色氨酸及其衍生物，并且在与hPYY（1-36）第7个位置相对应的位置上附着有修饰基团。本发明的化合物是选择性Y2受体激动剂。本发明还涉及到包含这种PYY化合物和药用辅料的药物组合物，以及使用这种PYY化合物的医疗用途。
• METHOD FOR RESOLVING OPTICAL ISOMER BY MEANS OF ELECTRODIALYSIS TECHNIQUE
  申请人：Guang an Mojia Biotechnology Co., Ltd.

  公开号：EP3933043A1

  公开（公告）日：2022-01-05

  Disclosed is a method for resolving an optical isomer from a racemate by means of electrodialysis. Specifically, an electrodialysis technique is used in an enzymatic resolution process, mainly in the separation of products after enzymatic resolution. Taking a preparation process for D-pantolactone as an example, the key point is that D-pantoic acid and L-pantolactone are separated from an enzymatic resolution solution by means of an electrodialysis method, which replaces the existing organic solvent extraction method. The process method is simple and easy to operate, has a high yield of D-pantoic acid of a good purity, greatly reduces the usage amount of an organic solvent, reduces production costs and is environmentally friendly, such that the working environment of workers can be improved to a great extent, and the operation safety index is improved.

  本发明公开了一种通过电渗析从外消旋体中分离光学异构体的方法。具体来说，电渗析技术用于酶解过程，主要是酶解后产物的分离。以 D-泛酰内酯的制备工艺为例，其要点是通过电渗析方法从酶解溶液中分离出 D-泛酸和 L-泛酰内酯，从而取代现有的有机溶剂萃取法。该工艺方法简单易操作，D-泛酸收率高，纯度好，大大减少了有机溶剂的用量，降低了生产成本，而且环保，可极大地改善工人的工作环境，提高操作安全指数。
• METHOD FOR RESOLVING OPTICAL ISOMER BY USING SUPERCRITICAL FLUID EXTRACTION TECHNOLOGY
  申请人：Guang an Mojia Biotechnology Co., Ltd.

  公开号：EP3960871A1

  公开（公告）日：2022-03-02

  Provided is a method for resolving an optical isomer from a racemate by using supercritical fluid extraction technology. The method is mainly applied to the separation of a product obtained after enzymatic resolution. Taking a preparation process of D-pantolactone as an example, the key point is to separate D-pantolactone and L-pantolactone from an enzymatic resolution liquid by means of supercritical fluid extraction.

  本发明提供了一种利用超临界流体萃取技术从外消旋体中分离光学异构体的方法。该方法主要用于分离酶解后得到的产物。以 D-泛酰内酯的制备工艺为例，其关键点在于利用超临界流体萃取技术从酶解液中分离出 D-泛酰内酯和 L-泛酰内酯。
• [EN] METHOD FOR RESOLVING OPTICAL ISOMER BY USING SUPERCRITICAL FLUID EXTRACTION TECHNOLOGY<br/>[FR] PROCÉDÉ DE RÉSOLUTION D'ISOMÈRE OPTIQUE AU MOYEN D'UNE TECHNOLOGIE D'EXTRACTION DE FLUIDE SUPERCRITIQUE<br/>[ZH] 使用超临界流体萃取技术拆分光学异构体的方法
  申请人：GUANG AN MOJIA BIOTECHNOLOGY CO LTD

  公开号：WO2020216295A1

  公开（公告）日：2020-10-29

  提供了一种通过超临界流体萃取技术从外消旋体中拆分光学异构体的方法，主要应用于酶拆分后产物的分离，以D-泛解酸内酯制备工艺为例，关键点在于通过超临界流体萃取方法从酶拆分液中分离D-泛解酸和L-泛解酸内酯。
• The Alkaloids of Senecio jacobaea L. IV. The Structures of Jacobine, Jaconine, Jacoline and their Constituent Acids
  作者：R. B. Bradbury、Satoru Masamune

  DOI：10.1021/ja01528a045

  日期：1959.10