环己羧酸,4-氨基-2-羟基-(9CI) | 173731-97-0

• 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: 环己羧酸,4-氨基-2-羟基-(9CI)
• 英文名称: 4-Amino-2-hydroxycyclohexanecarboxylic acid
• 英文别名: 4-amino-2-hydroxycyclohexane-1-carboxylic acid
• CAS: 173731-97-0
• 化学式: C₇H₁₃NO₃
• 分子量: 159.18
• InChiKey: NHAWRUQQEARCSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  83.6
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES
  申请人：SHAPIRO, Howard, K.

  公开号：EP0759750A1

  公开（公告）日：1997-03-05
• EP0759750A4
  申请人：——

  公开号：EP0759750A4

  公开（公告）日：1998-05-27
• Compositions and method for treatment of chronic inflammatory diseases
  申请人：Shapiro K. Howard

  公开号：US20050090553A1

  公开（公告）日：2005-04-28

  This invention defines novel compositions that can be used for clinical treatment of a class of chronic inflammatory diseases. Increased generation of carbonyl substances, namely aldehydes and ketones, occurs at sites of chronic inflammation and is common to the etiologies of all of the clinical disorders addressed herein. Such carbonyl substances are cytotoxic and additionally serve to perpetuate and disseminate the inflammatory process. This invention defines use of compositions, the orally administered required primary agents of which are primary amine derivatives of benzoic acid capable of covalently reacting with the carbonyl substances. p-Aminobenzoic acid (or PABA) is an example of the required primary agent of the present invention. PABA has a small molecular weight, is water soluble, has a primary amine group which reacts with carbonyl-containing substances and is tolerated by the body in relatively high dosages for extended periods. The method of the present invention includes administration of a composition comprising: (1) an orally consumed therapeutically effective amount of at least one required primary agent; (2) at least one required previously known medicament co-agent recognized as effective to treat a chronic inflammatory disease addressed herein administered to the mammalian subject via the oral route, other systemic routes of administration or via the topical route; and (3) optionally one or more additional orally consumed co-agent selected from the group consisting of antioxidants, vitamins, metabolites at risk of depletion, sulfhydryl co-agents, co-agents which may facilitate glutathione activity and nonabsorbable primary amine polymeric co-agents, so as to produce an additive or synergistic physiological effect of an anti-inflammatory nature.
• US8178516B2
  申请人：——

  公开号：US8178516B2

  公开（公告）日：2012-05-15
• [EN] COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES CHRONIQUES
  申请人：SHAPIRO, Howard, K.

  公开号：WO1995031194A1

  公开（公告）日：1995-11-23

  (EN) This invention defines novel compositions which can provide a basis for clinical teatment of several chronic inflammatory diseases, said diseases including varieties of arthritis, ileitis, colitis and other inflammatory disorders, as well as trauma resulting from ischemia and subsequent reperfusion. Increased lipid peroxidation is a common to the etiology of all of the clinical disorders addressed herein. Such increased lipid peroxidation generates carbonyl substances which are cytotoxic and additionally serve to perpetuate and disseminate the inflammatory process. This invention involves use of orally administered amine derivatives of benzoic acid as carbonyl trapping agents. These primary therapeutic agents act by chemically binding to and sequestering the aldehyde and/or ketone products of lipid peroxidation. p-Aminobenzoic acid (or PABA) is an example of the primary agent of the present invention. PABA has a small molecular weight, is water soluble, has a primary amine group which should react with carbonyl-containing metabolites under physiological conditions and is tolerated by the body in relatively high dosages and for extended periods. The method of the present invention includes administration of a composition comprising (1) a therapeutically effective amount of at least one carbonyl sequestering primary therapeutic agent, (2) optionally one or more co-agent such as, for example, an anti-oxidant free radical trapping substance, and (3) at least one medicament recognized as effective to treat said chronic inflammatory disease, so as to produce an additive or synergistic physiological effect of an anti-inflammatory nature.(FR) Nouvelles compositions pouvant servir de base pour le traitement clinique de diverses maladies inflammatoires chroniques, telles que des formes d'arthrite, iléite, colite et d'autres troubles inflammatoires, ainsi que de traumatismes dérivant de l'ischémie et de reperfusions successives. L'accroissement de la peroxydation lipidique est une caractéristique commune dans l'étiologie de tous les troubles cliniques visés par la présente invention. Cet accroissement de la peroxydation lipidique génère des substances carbonyliques qui sont cytotoxiques et permettent également au processus inflammatoire de se propager et se perpétuer. La présente invention consiste à administrer oralement des dérivés amine de l'acide benzoïque en tant qu'agents de piégeage de carbonyle. Ces agents thérapeutiques primaires agissent en se liant chimiquement aux produits aldéhyde et/ou cétone de la peroxydation lipidique et en les séquestrant. L'acide p-aminobenzoïque (ou PABA) est un exemple de l'agent primaire utilisé par la présente invention. Le PABA a un faible poids moléculaire, est soluble dans l'eau, présente un groupe amine primaire qui réagit avec des métabolites contenant du carbonyle dans des conditions physiologiques et est toléré par le corps à des doses relativement élevées et sur une longue durée. Le procédé de la présente invention consiste à administrer une composition comprenant (1) une quantité thérapeutiquement efficace d'au moins un agent thérapeutique primaire séquestrant le carbonyle, (2) éventuellement un ou plusieurs co-agents tels que, par exemple, une substance antioxydante piégeant les radicaux libres, et (3) au moins un médicament présentant une efficacité reconnue dans le traitement desdites maladies inflammatoires chroniques, de manière à produire un effet physiologique additif ou synergique de nature anti-inflammatoire.