asparaptine

• 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
• 英文名称: asparaptine
• 英文别名: (2S)-5-(diaminomethylideneamino)-2-(dithiolane-4-carbonylamino)pentanoic acid
• 化学式: C₁₀H₁₈N₄O₃S₂
• 分子量: 306.41
• InChiKey: RITXHUYDBJGUSD-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  asparaptine 在 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 生成 L-精氨酸
  参考文献：
  名称：

  Top-down Targeted Metabolomics Reveals a Sulfur-Containing Metabolite with Inhibitory Activity against Angiotensin-Converting Enzyme in Asparagus officinalis

  摘要：

  The discovery of bioactive natural compounds containing sulfur, which is crucial for inhibitory activity against angiotensin-converting enzyme (ACE), is a challenging task in metabolomics. Herein, a new S-containing metabolite, asparaptine (1), was discovered in the spears of Asparagus officinalis by targeted metabolomics using mass spectrometry for S-containing metabolites. The contribution ratio (2.2%) to the IC50 value in the crude extract showed that asparaptine (1) is a new ACE inhibitor.

  DOI：

  10.1021/acs.jnatprod.5b00092
• 作为产物：
  描述：

  L-精氨酸 、 sodium 1-((1,2-dithiolane-4-carbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate 以 aq. phosphate buffer 为溶剂， 以39 %的产率得到asparaptine
  参考文献：
  名称：

  JP2023/98378

  摘要：

  公开号：

文献信息

• USE OF ASPARAGUSIC ACID AND DERIVATIVES THEREOF TO TREAT SYMPTOMS AND DISORDERS OF NEUROLOGICAL DISEASE
  申请人：WREEN Joseph

  公开号：US20170209413A1

  公开（公告）日：2017-07-27

  Embodiments disclosed herein provide methods for treating and/or ameliorating symptoms of certain neurological diseases. The methods encompass administration of compositions comprising 1,2-dithiolane-4-carboxylic acid (asparagusic acid) and derivatives and condensation products thereof.
• Top-down Targeted Metabolomics Reveals a Sulfur-Containing Metabolite with Inhibitory Activity against Angiotensin-Converting Enzyme in <i>Asparagus officinalis</i>
  作者：Ryo Nakabayashi、Zhigang Yang、Tomoko Nishizawa、Tetsuya Mori、Kazuki Saito

  DOI：10.1021/acs.jnatprod.5b00092

  日期：2015.5.22

  The discovery of bioactive natural compounds containing sulfur, which is crucial for inhibitory activity against angiotensin-converting enzyme (ACE), is a challenging task in metabolomics. Herein, a new S-containing metabolite, asparaptine (1), was discovered in the spears of Asparagus officinalis by targeted metabolomics using mass spectrometry for S-containing metabolites. The contribution ratio (2.2%) to the IC50 value in the crude extract showed that asparaptine (1) is a new ACE inhibitor.
• JP2023/98378
  申请人：——

  公开号：——

  公开（公告）日：——