N-(γ-L-Glutamyl)-β-cyano-L-alanine | 16051-95-9

• 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: N-(γ-L-Glutamyl)-β-cyano-L-alanine
• 英文别名: N-(γ-L-Glutamyl)-L-β-cyan-alanin；N-(γ-L-Glutamyl)-β-cyano-L-alanin；gamma-Glutamyl-beta-cyanoalanine；(2S)-2-amino-5-[[(1S)-1-carboxy-2-cyanoethyl]amino]-5-oxopentanoic acid
• CAS: 16051-95-9
• 化学式: C₉H₁₃N₃O₅
• 分子量: 243.219
• InChiKey: QUAADUAOVLZBJM-WDSKDSINSA-N

物化性质

• 沸点：
  658.5±55.0 °C(Predicted)
• 密度：
  1.429±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(γ-L-Glutamyl)-β-cyano-L-alanine 在 sodium hydroxide 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 反应 3.0h， 生成 N-Carbobenzoxy-CA-9 dimethyl ester
  参考文献：
  名称：

  β-氰基-l-丙氨酸和 N-(γ-l-谷氨酰)-β-氰基-l-丙氨酸，Clitocybe acromelalga 的神经毒性成分

  摘要：

  摘要 神经甲状腺激素、β-氰基-l-丙氨酸及其γ-l-谷氨酰肽是从有毒蘑菇Clitocybe acromelalga 中与acromelic酸分离的。考虑到它们的毒性，摄入这种蘑菇引起的独特症状可能部分归因于这些生氰化合物。

  DOI：

  10.1016/0031-9422(93)85395-8
• 作为产物：
  描述：

  (S)-2-((S)-4-Benzyloxycarbonyl-4-benzyloxycarbonylamino-butyrylamino)-3-cyano-propionic acid; compound with dicyclohexyl-amine 生成 N-(γ-L-Glutamyl)-β-cyano-L-alanine
  参考文献：
  名称：

  etch子中的毒性原理。从普通紫etch种子中分离和鉴定γ-L-谷氨酰基-L-β-氰丙氨酸。在一些豆科植物中分布。

  摘要：

  DOI：

  10.1021/ja01038a058

文献信息

• Metabolomics-Based Identification of Disease-Causing Agents
  申请人：Skolnick Jeffrey

  公开号：US20110246081A1

  公开（公告）日：2011-10-06

  A method, computer-readable medium, and system for identifying one or more metabolites associated with a disease, comprising: comparing gene expression data from diseased cells to gene expression data from control cells in order to deduce genes that are differentially-regulated in the diseased cells relative to the control cells; based on enzyme function and pathway data for all human metabolites that utilize the genes that are differentially-regulated in the disease cells, identifying one or more metabolites whose intracellular levels are higher or lower in diseased cells than in control cells, and thereby associating the one or more metabolites with the disease.
• [EN] METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS<br/>[FR] IDENTIFICATION D'AGENTS PROVOQUANT UNE MALADIE BASÉE SUR LA MÉTABOLOMIQUE
  申请人：GEORGIA TECH RES INST

  公开号：WO2009052186A1

  公开（公告）日：2009-04-23

  A method, computer-readable medium, and system for identifying one or more metabolites associated with a disease, comprising: comparing gene expression data from diseased cells to gene expression data from control cells in order to deduce genes that are differentially-regulated in the diseased cells relative to the control cells; based on enzyme function and pathway data for all human metabolites that utilize the genes that are differentially-regulated in the disease cells, identifying one or more metabolites whose intracellular levels are higher or lower in diseased cells than in control cells, and thereby associating the one or more metabolites with the disease.
• [EN] METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES<br/>[FR] MÉTHODE DE PRÉDICTION DE CIBLES DE MÉDICAMENT ET CRIBLAGE DE MÉDICAMENTS DESTINÉS À DÉTECTER DES MICROORGANISMES PATHOGÈNES AU MOYEN DE MÉTABOLITES ESSENTIELS
  申请人：KOREA ADVANCED INST SCI & TECH

  公开号：WO2011034397A2

  公开（公告）日：2011-03-24

  본 발명은 필수 대사산물을 이용한 병원성 미생물의 약물 표적 예측 및 약물 탐색 방법에 관한 것으로, 보다 구체적으로는 대상 미생물을 선정하고, 선정된 미생물의 대사 네트워크 모델을 구축한 후, 필수 대사산물 분석 (metabolite essentiality) 방법을 적용하여 세포 성장에 필수적인 대사산물을 예측하고, 이들 중 유통 대사산물（currency metabolite) 및 소비하는 반응식의 개수가 기준 미달인 필수 대사산물들 제거한 후, 남은 필수 대사산물들과 이들을 소비하는 효소가 숙주의 대사에 없는 것들만을 추가 선별함으로써, 효율적인 병원성 미생물의 약물 표적 효소 또는 이를 코딩하는 약물 표적 유전자를 스크리닝하는 방법 및 이들 병원성 미생물의 성장을 억제할 수 있는 약물을 선별하는 스크리닝 방법에 관한 것이다.