L-Isoleucyl-L-aspartic acid | 54532-76-2

• 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: L-Isoleucyl-L-aspartic acid
• 英文别名: isoleucylaspartic acid；L-isoleucyl-L-aspartate；Ile-Asp；(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]butanedioic acid
• CAS: 54532-76-2
• 化学式: C₁₀H₁₈N₂O₅
• 分子量: 246.263
• InChiKey: WKXVAXOSIPTXEC-HAFWLYHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -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：
  0.7
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  D-葡萄糖 、 L-Isoleucyl-L-aspartic acid 在 吡啶 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以84%的产率得到N-(1-Deoxyfructopyranos-1-yl)isoleucylaspartic acid
  参考文献：
  名称：

  Vertesy, Laszlo; Fehlhaber, Hans-Wolfram; Kogler, Herbert, Liebigs Annalen, 1996, # 1, p. 121 - 126

  摘要：

  DOI：

文献信息

• Enkastins: new glycopeptides which act to inhibit enkephlinase,
  申请人：Hoechst Aktiengesellschaft

  公开号：US05302582A1

  公开（公告）日：1994-04-12

  The invention relates to new biologically active glycopeptides of the general formula Sacch--A--B--R in which Sacch represents a monosaccharide residue with, where appropriate, the OH groups being partially or completely substituted, A represents the residue of a neutral L- or D-amino acid or --if B is absent--represents the residue of a neutral D-amino acid, B is absent or represents the residue of a neutral L- or D-amino acid or of an optionally .omega.-substituted bi-functional acidic or basic L- or D-amino acid, and R represents hydroxyl, (C.sub.1 -C.sub.8)-alkoxy, an amino radical which is optionally substituted by one or two identical or different radicals from the series comprising (C.sub.1 -C.sub.8)-alkyl, (C.sub.5 -C.sub.8)-cycloalkyl, (C.sub.5 -C.sub.8)-heteroalkyl or (C.sub.5 -C.sub.8)-heteroaryl, or another acid derivative. These compounds have enkephalinase-inhibiting properties and can thus be used, for example, as analgesics in human and veterinary medicine. The isolation of these compounds from Streptomyces albus ATCC 21838, and further processes for their preparation, are also described.

  本发明涉及一种新的生物活性糖肽，其一般式为Sacch--A--B--R，其中Sacch表示单糖残基，其中OH基团可以部分或完全被取代，A表示中性L-或D-氨基酸残基或者——如果B不存在——表示中性D-氨基酸残基，B不存在或表示中性L-或D-氨基酸残基或者可选地ω-取代的双官能酸性或碱性L-或D-氨基酸，R表示羟基、(C1-C8)-烷氧基、氨基基团，该氨基基团可以被一或两个相同或不同的基团从包括(C1-C8)-烷基、(C5-C8)-环烷基、(C5-C8)-杂基烷基或(C5-C8)-杂环基取代，或者是另一种酸衍生物。这些化合物具有脑内啡酶抑制作用，因此可以在人类和兽医学中用作镇痛剂。本发明还描述了从Streptomyces albus ATCC 21838中分离这些化合物以及进一步制备它们的过程。
• Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment
  申请人：Metabolon, Inc.

  公开号：US10267777B2

  公开（公告）日：2019-04-23

  Methods are described herein for small molecule biochemical profiling of an individual subject for diagnosis of a disease or disorder, facilitating diagnosis of a disease or disorder, and/or identifying an increased risk of developing a disease or disorder in the individual subject. Aberrant levels of small molecules present in a sample from an individual subject are identified and diagnostic information relevant to the individual subject is obtained based on the identified aberrant levels. The obtained diagnostic information includes one or more of an identification of at least one biochemical pathway associated with the identified subset of the small molecules having aberrant levels, an identification at least one disease or disorder associated with the identified subset of the small molecules having aberrant levels, and an identification of at least one recommended follow up test associated with the identified subset of the small molecules having aberrant levels.

  本文描述了对个体受试者进行小分子生化分析的方法，以诊断疾病或失调，促进疾病或失调的诊断，和/或确定个体受试者罹患疾病或失调的风险增加。确定个体受试者样本中存在的小分子的异常水平，并根据确定的异常水平获得与个体受试者相关的诊断信息。所获得的诊断信息包括：至少一个生化途径的鉴定，该生化途径与所鉴定的具有异常水平的小分子子集相关；至少一种疾病或紊乱的鉴定，该疾病或紊乱与所鉴定的具有异常水平的小分子子集相关；至少一种推荐的后续检测的鉴定，该检测与所鉴定的具有异常水平的小分子子集相关。
• SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT
  申请人：Metabolon, Inc.

  公开号：EP3129909A1

  公开（公告）日：2017-02-15
• SYSTEM, METHOD AND APPARATUS FOR DETERMINING THE EFFECT OF GENETIC VARIANTS
  申请人：Metabolon, Inc.

  公开号：EP3215633A1

  公开（公告）日：2017-09-13
• System, Method and Apparatus for Determining the Effect of Genetic Variants
  申请人：METABOLON, INC.

  公开号：US20180314790A1

  公开（公告）日：2018-11-01

  Methods using a combination of metabolomics and computer technology to determine sequence variants with potential negative or detrimental effects and enable the classification of a variant with an unknown or uncertain clinical significance from VUS status to benign, pathogenic or advantageous are described. For example, methods of using metabolomics to expedite personalized medicine based on genomic sequence analysis are described. Using metabolic profiles to determine (or aid in determining) the significance of genetic variants and enable the identification of diagnostic variants (those variants having a detrimental health affect) for use in personalized medicine is described. Further, using metabolic profiles to determine the presence of advantageous variants that may have a positive effect on patient health is also described.