(2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetic acid | 61164-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetic acid
• 英文别名: (2-oxo-1,2,3,4-tetrahydro-[3]quinolyl)-acetic acid；(2-Oxo-1,2,3,4-tetrahydro-[3]chinolyl)-essigsaeure；1,2,3,4-tetrahydroquinoline-2-one-3-acetic acid；2-oxo-1,2,3,4-tetrahydroquinolin-3-acetic acid；2-(2-Oxo-1,2,3,4-tetrahydroquinolin-3-YL)acetic acid；2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid
• CAS: 61164-71-4
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: VOOBKBWATCPJRK-UHFFFAOYSA-N

物化性质

• 熔点：
  201-202°C
• 溶解度：
  DMSO（轻微）、甲醇（轻微、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetic acid 在 N-甲基吗啉 、 氯甲酸乙酯 、 羟胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-Hydroxy-2-(2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetamide
  参考文献：
  名称：

  Identification of novel potent bicyclic peptide deformylase inhibitors

  摘要：

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH3-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4 M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.014
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 (2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetic acid
  参考文献：
  名称：

  Formation of Dihydrocarbostyril-3-acetic Acid and Esters by Rearrangement

  摘要：

  DOI：

  10.1021/ja01627a045

文献信息

• [EN] INHIBITORS OF JUN N-TERMINAL KINASE<br/>[FR] INHIBITEURS DE L'ENZYME JUN N-TERMINAL KINASE
  申请人：ELAN PHARM INC

  公开号：WO2010091310A1

  公开（公告）日：2010-08-12

  The present disclosure provides inhibitors of c-Jun N-terminal kinases (JNK) having a structure according to the following formula (I): or a salt or solvate thereof, wherein ring A, Ca, Cb, Z, R5, W and Cy are defined herein. The disclosure further provides pharmaceutical compositions including the compounds of the present disclosure and methods of making and using the compounds and compositions of the present disclosure, e.g., in the treatment and prevention of various disorders, such as Alzheimer's disease.

  本公开提供了具有以下结构的c-Jun N-末端激酶（JNK）抑制剂（I）的结构，或其盐或溶剂化物，其中环A，Ca，Cb，Z，R5，W和Cy在此处定义。本公开还提供了包括本公开化合物的药物组合物，以及制备和使用本公开化合物和组合物的方法，例如在治疗和预防各种疾病，如阿尔茨海默病。
• [EN] GLYCINE METABOLISM MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DU MÉTABOLISME DE LA GLYCINE ET LEURS UTILISATIONS
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2018021977A1

  公开（公告）日：2018-02-01

  The present invention relates to a compound of general formula (I) and/or its solvates, hydrates and pharmaceutically acceptable salts, which are modulators of glycine metabolism. The present invention also relates to the methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of disorders/conditions/diseases involving, relating to or associated with glycine metabolism or a pathway where glycine decarboxylase (GLDC, or glycine cleavage system) plays a role. In a preferred embodiment the disorders/conditions/disease is cancer, inflammatory conditions, Alzheimer's disease, metabolic disorders and CNS disorders.

  本发明涉及一般式(I)的化合物及/或其溶剂合物、水合物和药学上可接受的盐，这些化合物是甘氨酸代谢调节剂。本发明还涉及其制备方法、含有这些化合物的药物组合物以及这些化合物在治疗涉及或与甘氨酸代谢或甘氨酸脱羧酶（GLDC，或甘氨酸裂解系统）发挥作用的病症/疾病/疾病的用途。在一个首选实施例中，疾病/疾病是癌症、炎症性疾病、阿尔茨海默病、代谢性疾病和中枢神经系统疾病。
• Bicyclic compounds and compostions as PDF inhibitors
  申请人：Molteni Valentina

  公开号：US20050197326A1

  公开（公告）日：2005-09-08

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物，以及这些化合物在各种医学应用中的用途，包括治疗适用于肽脱甲基酰基酶抑制剂治疗的疾病，如细菌感染的治疗，并涉及包含这些化合物的制药组合物。
• Bicyclic compounds and compositions as PDF inhibitors
  申请人：IRM LLC

  公开号：US07253164B2

  公开（公告）日：2007-08-07

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物，以及这些化合物在各种医学应用中的用途，包括治疗适用于肽变形酶抑制剂治疗的疾病，例如治疗细菌感染，并涉及包含这些化合物的制药组合物。
• BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS
  申请人：Molteni Valentina

  公开号：US20070259852A1

  公开（公告）日：2007-11-08

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物、这些化合物在各种药物应用中的用途，包括治疗适用于肽形变酶抑制剂治疗的疾病，例如治疗细菌感染，并涉及包含这些化合物的制药组合物。