(S)-3-[3-benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-benzyl]-2,3-dihydrobenzo[c]azepin-1-one | 1057340-58-5

• 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: (S)-3-[3-benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-benzyl]-2,3-dihydrobenzo[c]azepin-1-one
• 英文别名: 1,1-dioxo-5-[4-[[(3S)-1-oxo-2,3-dihydro-2-benzazepin-3-yl]methyl]-2-phenylmethoxyphenyl]-1,2,5-thiadiazolidin-3-one
• CAS: 1057340-58-5
• 化学式: C₂₆H₂₃N₃O₅S
• 分子量: 489.552
• InChiKey: QXBBHMPCGYMJPX-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-3-[3-benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-benzyl]-2,3-dihydrobenzo[c]azepin-1-one 在 三溴化硼 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (S)-3-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-benzyl]-2,3-dihydro-benzo[c]azepin-1-one
  参考文献：
  名称：

  WO2007/115058

  摘要：

  公开号：

文献信息

• 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof
  申请人：Lin Jeng Ai

  公开号：US20050148645A1

  公开（公告）日：2005-07-07

  Disclosed herein are 2-guanidinylimidazolidinedione compounds having the structural formula A or B wherein R 1 and R 2 are each independently a hydrogen, halogen, alkyl, alkoxyl, amino, alkylamino or aralkyl, and wherein R 3 is an alkyl, cycloalkyl, heterocycloalkyl, acyl, aryl, heteroaryl, alkylaryl, sulfonyl, alkylsulfonyl, and pharmaceutically acceptable salts thereof, and methods of making thereof. Also disclosed are methods of treating, preventing, or inhibiting malaria with the 2-guanidinylimidazolidinedione compounds, and pharmaceutical compositions comprising the 2-guanidinylimidazolidinedione compounds, and kits.

  本文披露了具有结构式A或B的2-胍氨基咪唑啉二酮化合物，其中R1和R2分别独立地表示氢、卤素、烷基、烷氧基、氨基、烷基氨基或芳基烷基，R3表示烷基、环烷基、杂环烷基、酰基、芳基、杂芳基、烷基芳基、磺酰基、烷基磺酰基及其药用可接受盐，以及制备方法。还公开了使用2-胍氨基咪唑啉二酮化合物治疗、预防或抑制疟疾的方法，以及包含该化合物的制药组合物和试剂盒。
• Organic compounds
  申请人：Novartis AG

  公开号：US08084448B2

  公开（公告）日：2011-12-27

  Compounds of the formula are inhibitors of protein tyrosine phosphatases (PTPases) and, thus, may be employed for the treatment of conditions mediated by PTPase activity. The compounds of the present invention may also be employed as inhibitors of other enzymes characterized with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula (I) may be employed for prevention and/or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels, conditions that accompany type-2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat and/or prevent cancer, osteoporosis, musculoskeletal, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式为的化合物是蛋白酪氨酸磷酸酶（PTPase）的抑制剂，因此可用于治疗PTPase活性介导的疾病。本发明的化合物也可用作其他酶的抑制剂，这些酶具有磷酸酪氨酸结合区域，如SH2结构域。因此，公式（I）的化合物可用于预防和/或治疗与肥胖、葡萄糖耐受性、糖尿病、高血压和大、小血管缺血性疾病相关的胰岛素抵抗，以及伴随2型糖尿病的情况，包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤、脂质代谢异常和其他表现为胰岛素抵抗的疾病。此外，本发明的化合物可用于治疗和/或预防癌症、骨质疏松症、肌肉骨骼、神经退行性和传染性疾病，以及涉及炎症和免疫系统的疾病。
• ORGANIC COMPOUNDS
  申请人：Neubert Alan

  公开号：US20090181928A1

  公开（公告）日：2009-07-16

  Compounds of the formula are inhibitors of protein tyrosine phosphatases (PTPases) and, thus, may be employed for the treatment of conditions mediated by PTPase activity. The compounds of the present invention may also be employed as inhibitors of other enzymes characterized with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula (I) may be employed for prevention and/or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels, conditions that accompany type-2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat and/or prevent cancer, osteoporosis, musculoskeletal, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式的化合物是蛋白酪氨酸磷酸酶（PTPases）的抑制剂，因此可用于治疗由PTPase活性介导的疾病。本发明的化合物也可用作其他酶的抑制剂，这些酶具有磷酸酪氨酸结合区域，如SH2结构域。因此，公式（I）的化合物可用于预防和/或治疗与肥胖、葡萄糖不耐受、糖尿病、高血压以及大、小血管缺血性疾病有关的胰岛素抵抗。这些疾病包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤等癌症，以及其他显示胰岛素抵抗的疾病。此外，本发明的化合物可用于治疗和/或预防癌症、骨质疏松症、肌肉骨骼、神经退行性和传染性疾病，以及涉及炎症和免疫系统的疾病。
• EP1686990A4
  申请人：——

  公开号：EP1686990A4

  公开（公告）日：2009-06-03
• 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF
  申请人：U.S. Army Medical Research and Materiel Command

  公开号：EP1686990A2

  公开（公告）日：2006-08-09