3-氨基己酸 | 58521-63-4

• 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: 3-氨基己酸
• 英文名称: 3-aminohexanoic Acid
• 英文别名: 3-aminohexanoic acid；(+/-)-3-amino-hexanoic acid；(+/-)-3-Amino-hexansaeure；DL-3-Amino-capronsaeure；3-amino-ethylbutyrate；3-azaniumylhexanoate
• CAS: 58521-63-4
• 化学式: C₆H₁₃NO₂
• 分子量: 131.175
• InChiKey: YIJFIIXHVSHQEN-UHFFFAOYSA-N

物化性质

• 熔点：
  205-207℃
• 沸点：
  240.4±23.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Predicted)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氨基己酸 在 sodium hydroxide 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 2.5h， 生成 benzyl N-[1-oxo-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]carbamate
  参考文献：
  名称：

  Highly Diastereoselective Alkylation of Perhydropyrimidin-4-ones Directed toward the Synthesis of .alpha.-Substituted .beta.-Amino Acids. 2.

  摘要：

  The alkylation of several enantiomerically pure perhydropyrimidin-4-ones at C-5 is described. For the methylation reaction, mixtures of 5,6-trans- and cis-disubstituted adducts were obtained with high diastereomeric ratios, whereas only the 5,6-trans-disubstituted products were obtained with larger alkylating agents. The dialkylation reaction at C-5 was also studied, and the 5,6-cis-trisubstituted product was preferentially formed. Acidic,hydrolysis of 5,6-trans-disubstituted perhydropyrimidin-4-ones furnished the corresponding beta-amino acid hydrochlorides in quantitative yield. On cyclization of the amino acids, 5,6-trans-disubstituted azetidin-2-ones were also synthesized.

  DOI：

  10.1021/jo00103a020
• 作为产物：
  描述：

  反式-2-己烯酸 在 氨 、 水 作用下， 生成 3-氨基己酸
  参考文献：
  名称：

  Innovations in Agricultural and Natural Disaster Insurance

  摘要：

  DOI：

  10.1111/0002-9092.00185

文献信息

• Structure–activity relationships of pyrrole based S-nitrosoglutathione reductase inhibitors: Pyrrole regioisomers and propionic acid replacement
  作者：Xicheng Sun、Jian Qiu、Sarah A. Strong、Louis S. Green、Jan W.F. Wasley、Dorothy B. Colagiovanni、Sarah C. Mutka、Joan P. Blonder、Adam M. Stout、Jane P. Richards、Lawrence Chun、Gary J. Rosenthal

  DOI：10.1016/j.bmcl.2011.04.086

  日期：2011.6

  those in respiratory, cardiovascular, and gastrointestinal systems. The pyrrole based N6022 was recently identified as a potent, selective, reversible, and efficacious GSNOR inhibitor which is currently undergoing clinical development. We describe here the synthesis and structure–activity relationships (SAR) of novel pyrrole based analogues of N6022 focusing on scaffold modification and propionic acid

  小号-NitrOSoglutathione还原酶（GSNOR）是醇脱氢酶家族（ADH）的成员，其调节的电平小号通过分解代谢-nitrOSothiols（SNOS）小号-nitrOSoglutathione（GSNO）。GSNO和SNO与许多疾病的发病机制有关，包括呼吸系统，心血管和胃肠系统疾病。基于吡咯的N6022最近被鉴定为有效，选择性，可逆和有效的GSNOR抑制剂，目前正在临床研究中。我们在这里描述了新型的基于吡咯的N6022类似物的合成和结构-活性关系（SAR）专注于支架改性和丙酸替代。我们使用基于结构的方法鉴定了具有吡咯区域异构体作为支架的同等效力和新颖的GSNOR抑制剂。
• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：GILEAD SCIENCES, INC.

  公开号：US20040121316A1

  公开（公告）日：2004-06-24

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定含有羧酸酯或磷酸酯基团抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶筛选这类化合物的文库。还提供了与GS-7340酯水解酶相关的组合物和方法。
• Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides
  申请人：ELI LILLY AND COMPANY

  公开号：EP0825164A2

  公开（公告）日：1998-02-25

  This invention relates to a novel solution phase process for the preparation of amide, carbamate, and sulfonamide combinatorial libraries. These libraries have utility for drug discovery and are used to form wellplate components of novel assay kits.

  这项发明涉及一种用于制备酰胺、碳酸酯和磺酰胺组合库的新型溶液相过程。这些库在药物发现中具有实用价值，并用于形成新型检测套件的微孔板组件。
• [EN] SUBSTITUTED PYRAZINE DERIVATIVES<br/>[FR] DERIVES PYRAZINIQUES SUBSTITUES
  申请人：UPJOHN CO

  公开号：WO2003091225A1

  公开（公告）日：2003-11-06

  The present invention provides substituted pyrazine derivatives of Formula (I), that are CRF1 receptor antagonists, including human CRF1 receptors. This invention also relates to use of compounds of the invention for treating a disorder or condition, the treatment of which can be effected or facilitated by antagonizing a CRF receptor, such as CNS disorders, particularly anxiety-related disorders and mood disorders.

  本发明提供了式（I）的取代吡嗪衍生物，其为CRF1受体拮抗剂，包括人类CRF1受体。本发明还涉及利用本发明的化合物治疗疾病或症状，其治疗可以通过拮抗CRF受体来实现或促进，例如中枢神经系统疾病，特别是与焦虑有关的疾病和情绪障碍。
• Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester
  申请人：——

  公开号：US20030225301A1

  公开（公告）日：2003-12-04

  A process for producing an optically active 3-azide-carboxylic acid ester by reacting an optically active 3-hydroxycarboxylic acid ester and a thionyl halide in the presence of a basic substance in an organic solvent to produce an optically active 3-halogenocarboxylic acid ester which is then reacted with an azide salt represented by the formula: MN 3 (wherein M is an alkaline metal) in water or a mixture of water and a water soluble organic solvent.

  通过在有机溶剂中，在碱性物质存在下，将光学活性的3-羟基羧酸酯和硫酰卤在一起反应，产生光学活性的3-卤代羧酸酯，然后将其与由公式表示的偶氮盐（其中M是碱性金属）在水或水和水溶性有机溶剂的混合物中反应，从而生产光学活性的3-偶氮基羧酸酯的方法。