{3-[(2-fluorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl}acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: {3-[(2-fluorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl}acetic acid
• 英文别名: 2-[3-[(2-fluorophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid
• 化学式: C₁₈H₁₃FN₄O₂S
• mdl: MFCD03018017
• 分子量: 368.4
• InChiKey: GHEWKRUZAFYTPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] USE OF 5-CARBOXYMETHYL-3-MERCAPTO-1,2,4-TRIAZINO-[5,6-B]INDOLES AND THEIR PHARMACEUTICAL COMPOSITION<br/>[FR] UTILISATION DE 5-CARBOXYMÉTHYL-3-MERCAPTO-1,2,4-TRIAZINO-[5,6-B]INDOLES ET LEUR COMPOSITION PHARMACEUTIQUE
  申请人：STAV EXPERIMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV

  公开号：WO2015057175A1

  公开（公告）日：2015-04-23

  The present invention relates to the use of 5-carboxymethyl-3- mercapto-1,2,4-triazino-[5,6-b]indoles (the general formula (I)) and their pharmaceutically acceptable salts hydrates and solvates thereof for the use in treatment, control and prevention of human and veterinary diseases in which activities of aldo- keto reductases AKR1B1 and AKR1B10 are key etiological factors for their development and progress such as the development of diabetic complications (macro-, microangiopathy, atherosclerosis, retinopathy, cataracts, nephropathy, neuropathy, bone mass loss and atherosclerosis), inflammatory diseases (uveitis, sepsis, periodontitis, asthma and colorectal cancer), abnormal proliferation of vascular smooth muscle cells in atherosclerosis and restenosis, lung carcinoma in smokers, and several types of cancer (lung, breast, hepatic, prostate, pancreatic, endometrial cancer, cervical cancer, and cervical adenocarcinoma), diseases of the female reproductive system (menstrual disorders and fertility problems), timing of parturition, mood disorders, psychiatric and neurological diseases. The present invention relates to pharmaceutical compositions comprising effective amount of 5-carboxymethyl-3-mercapto-1,2,4-triazino-[5,6-b]indoles of the general formula (I) and a pharmaceutically acceptable carrier for the use in treatment, control and prevention of human and veterinary diseases. (Formula (I))