5-氨基-1,3-环己二烯-1-羧酸 | 59556-18-2

• 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
• 中文名称: 5-氨基-1,3-环己二烯-1-羧酸
• 英文名称: 5-amino-1,3-cyclohexadiene-1-carboxylic acid
• 英文别名: gabaculine；gabaculone；5-amino-1,3-cyclohexadienyl-carboxylic acid；3-amino-2,3-dihydrobenzoic acid；5-Amino-1.3-cyclohexadienylcarbonsaeure, Gabaculin；(+/-)-Gabaculin；5-Azaniumylcyclohexa-1,3-diene-1-carboxylate
• CAS: 59556-18-2
• 化学式: C₇H₉NO₂
• 分子量: 139.154
• InChiKey: KFNRJXCQEJIBER-UHFFFAOYSA-N

物化性质

• 沸点：
  304.6±42.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  4-tert-butyl-5-hydroxycyclohexa-3,5-diene-1,2-dione 、 5-氨基-1,3-环己二烯-1-羧酸 在 叔丁胺 作用下， 以 二甲基亚砜 为溶剂， 反应 96.0h， 生成 5-tert-butyl-1,2,4-trihydroxybenzene 、 间氨基苯甲酸 、 3-(5-tert-butyl-2,4-dihydroxyanilino)benzoic acid
  参考文献：
  名称：

  Lee Younghee; Sayre, Journal of the American Chemical Society, 1995, vol. 117, # 48, p. 11823 - 11828

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(tert-butoxycarbonylamino)-1,3-cyclohexadienecarboxylic acid 在 盐酸 作用下， 生成 5-氨基-1,3-环己二烯-1-羧酸
  参考文献：
  名称：

  Francois,J.-P.; Gittos,M.W., Synthetic Communications, 1979, vol. 9, p. 741 - 750

  摘要：

  DOI：

文献信息

• Amine Compounds
  申请人：Ohmori Yutaka

  公开号：US20080200535A1

  公开（公告）日：2008-08-21

  There is provided a compound exhibiting an activity of suppressing immune response with reduced adverse drug reactions, which compound is useful in the chemotherapy for preventing or treating, for example, a wide range of various autoimmune diseases including systemic erythematodes, chronic rheumatoid arthritis, Type I diabetes, inflammatory bowel disease, biliary cirrhosis, uveitis, multiple sclerosis or other disorders, or chronic inflammatory diseases, or cancers, lymphoma or leukemia, or resistance to organ or tissue transplantation or rejection against transplantation. Novel amine compounds having an S1P1/Edg1 receptor agonist effect, possible stereoisomers or racemic bodies of the compounds, or pharmacologically acceptable salts, hydrates or solvates of the compound, the stereoisomers or the racemic bodies, or prodrugs of the compounds, the stereoisomers, the racemic bodies, the salts, the hydrates or the solvates, are provided.

  提供了一种化合物，具有抑制免疫反应并减少不良药物反应的活性，该化合物在化疗中用于预防或治疗各种自身免疫性疾病，包括系统性红斑狼疮、慢性类风湿关节炎、I型糖尿病、炎症性肠病、胆汁性肝硬化、葡萄膜炎、多发性硬化或其他疾病，慢性炎症性疾病，癌症，淋巴瘤或白血病，器官或组织移植的抗性或对移植的排斥。提供了具有S1P1/Edg1受体激动剂作用的新型胺类化合物，可能是这些化合物的立体异构体或消旋体，或这些化合物、立体异构体或消旋体的药理学上可接受的盐、水合物或溶剂合物，或这些化合物、立体异构体、消旋体、盐、水合物或溶剂的前药。
• Proteomic analysis
  申请人：The Scripps Research Institute of an Assignment

  公开号：US20020064799A1

  公开（公告）日：2002-05-30

  The present invention provides methods for analyzing proteomes, as cells or lysates. The analysis is based on the use of probes that have specificity to the active form of proteins, particularly enzymes and receptors. The probes can be identified in different ways. In accordance with the present invention, a method is provided for generating and screening compound libraries that are used for the identification of lead molecules, and for the parallel identification of their biological targets. By appending specific functionalities and/or groups to one or more binding moieties, the reactive functionalities gain binding affinity and specificity for particular proteins and classes of proteins. Such libraries of candidate compounds, referred to herein as activity-based probes, or ABPs, are used to screen for one or more desired biological activities or target proteins.

  本发明提供了用于分析蛋白质组的方法，例如细胞或裂解物。该分析基于具有特异性对蛋白质的活性形式的探针的使用，特别是酶和受体。这些探针可以通过不同的方式进行识别。根据本发明，提供了一种用于生成和筛选化合物库的方法，用于识别引物分子，并并行识别它们的生物学靶标。通过向一个或多个结合基团添加特定的功能性和/或基团，反应性功能性获得了对特定蛋白质和蛋白质类的结合亲和性和特异性。这种候选化合物库，本文称为活性探针（ABPs），用于筛选一个或多个所需的生物活性或靶标蛋白质。
• N-heterocyclic derivatives as NOS inhibitors
  申请人：Berlex Laboratories, Inc.

  公开号：US20020183323A1

  公开（公告）日：2002-12-05

  N-Heterocyclic derivatives of the formula (I): 1 are described herein, as well as other N-heterocycles, as inhibitors of nitric oxide synthase. Pharmaceutical compositions containing these compounds, methods of using these compounds as inhibitors of nitric oxide synthase and processes for synthesizing these compounds are also described herein.

  本文描述了公式（I）中的N-杂环衍生物1，以及其他N-杂环，作为一氧化氮合酶的抑制剂。本文还描述了含有这些化合物的制药组合物，使用这些化合物作为一氧化氮合酶抑制剂的方法，以及合成这些化合物的过程。
• Substituted 1-benzazepines and derivatives thereof
  申请人：Tomazic Alenka

  公开号：US20050234041A1

  公开（公告）日：2005-10-20

  This invention relates to substituted 1-benzazepines and derivatives thereof useful as anti-infective agents, to compositions, including pharmaceutical compositions, comprising such compounds, to processes for making these compounds and to methods of using these compounds for killing bacteria and other microorganisms or inhibiting bacterial and other microorganism growth.

  本发明涉及取代的1-苯并氮杂环和其衍生物，其作为抗感染剂有用，包括制备这些化合物的组合物，包括药物组合物，制备这些化合物的过程以及使用这些化合物杀死细菌和其他微生物或抑制细菌和其他微生物生长的方法。
• COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS
  申请人：CURRIE Mark G.

  公开号：US20090054450A1

  公开（公告）日：2009-02-26

  Disclosed herein are novel compositions and methods for treating or preventing a variety of disorders and conditions associated with lipid metabolism. The methods generally include administering to a patient in need thereof a therapeutically effective amount of a pharmaceutical composition comprising one or more fibric acid or statin derivative compositions alone or in combination with one or more lipid altering agents and/or PDE inhibitors.

  本文披露了一种用于治疗或预防与脂质代谢相关的多种疾病和病症的新型组合物和方法。该方法通常包括向需要治疗的患者施用一种药物组合物，该组合物包括一种或多种纤维酸或他汀类衍生物组合物，单独或与一种或多种脂质调节剂和/或PDE抑制剂组合使用的治疗有效量。