(+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetic acid | 71500-84-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetic acid
• 英文别名: (6,7-dichloro-2-cyclopentyl-2-methyl-1-oxoindan-5-yl)acetic acid；(2-Cyclopentyl-6,7-dichloro-2-methyl-1-oxo-5-indanyl)acetic acid；6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxoindan-5-ylacetic Acid；2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)acetic acid
• CAS: 71500-84-0；101930-31-8
• 化学式: C₁₇H₁₈Cl₂O₃
• 分子量: 341.234
• InChiKey: CVWAHFRXUCCZQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetic acid 在 氨 、 乙酰氯 作用下， 以 甲醇 为溶剂， 反应 120.0h， 生成 (+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetamide
  参考文献：
  名称：

  乙醇酸氧化酶的抑制剂。4-取代的3-羟基-1H-吡咯-2,5-二酮衍生物。

  摘要：

  已经制备了一系列广泛的新颖的4-取代的3-羟基-1H-吡咯-2，5-二酮衍生物，并作为乙醇酸氧化酶（GAO）的抑制剂进行了研究。具有大的亲脂性4-取代基的化合物通常是猪肝GAO体外的有效竞争性抑制剂。氮或3-羟基取代基的甲基化显着降低了效能，表明需要1H-吡咯-2,5-二酮核上的两个酸性功能。在大鼠肝脏灌注研究中，使用三种代表性化合物，观察到浓度依赖性抑制[1-14C]乙醇酸酯向[14C]草酸酯的转化。长期口服喂食乙二醇的大鼠4-（4'-溴[1,1'-联苯] -4-基）衍生物（83）在58天内可显着降低草酸尿水平期。

  DOI：

  10.1021/jm00359a015
• 作为产物：
  描述：

  diethyl 2-(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxoindan-5-yl)-Malonate 生成 (+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)acetic acid
  参考文献：
  名称：

  CRAGOE, E. J. ,, JR;ROONEY, C. S.;WILLIAMS, H. W. R.

  摘要：

  DOI：

文献信息

• Treatment of gray matter edema with
  申请人：Merck & Co., Inc.

  公开号：US04596821A1

  公开（公告）日：1986-06-24

  The invention relates to novel substituted-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1H-pyrrole-2,5-diones, their analogs and their salts. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke (particularly ischemic), arrested breathing, cardiac arrest, Reye's syndrome, cerebral thrombosis, cerebral embolism, cerebral hemorrhage, cerebral tumors, encephalomyelitis, spinal cord injury, hydrocephalus, post-operative brain injury trauma, edema due to cerebral infections and various brain concussions.

  本发明涉及一种新型的取代-3-(2,3-二氢-1H-茚-5-基)-4-羟基-1H-吡咯-2,5-二酮及其类似物和盐。这些化合物通过选择不同的合成路线，根据特定的结构、中间体的选择或首选反应序列进行合成。这些化合物可用于治疗和预防由于头部创伤、中风（特别是缺血性中风）、呼吸停止、心脏骤停、Reye综合症、脑血栓形成、脑栓塞、脑出血、脑肿瘤、脑炎髓膜炎、脊髓损伤、脑积水、术后脑损伤创伤、由脑部感染引起的水肿和各种脑震荡等所致的脑损伤和水肿。
• 4-Substituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic
  申请人：Merck & Co., Inc.

  公开号：US04342776A1

  公开（公告）日：1982-08-03

  Novel 4-substituted-3-hydroxy-3-pyrroline-2,5-diones are disclosed which inhibit glycolic acid oxidase and thus are useful in the treatment and prevention of calcium oxalate kidney stone formation. A novel process for their preparation is also disclosed.

  本发明揭示了一种新型的4-取代-3-羟基-3-吡咯烷-2,5-二酮，该化合物能够抑制醛酸氧化酶，因此在治疗和预防钙草酸肾结石形成方面具有用处。同时，本发明还揭示了一种制备该化合物的新方法。
• Substituted-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1H-pyrrole-2,5-diones
  申请人：Merck & Co., Inc.

  公开号：US04680414A1

  公开（公告）日：1987-07-14

  The invention relates to novel substituted-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1H-pyrrole-2,5-diones, their analogs and their salts. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke (particularly ischemic), arrested breathing, cardiac arrest, Reye's syndrome, cerebral thrombosis, cerebral embolism, cerebral hemorrhage, cerebral tumors, encephalomyelitis, spinal cord injury, hydrocephalus, post-operative brain injury trauma, edema due to cerebral infections and various brain concussions.

  本发明涉及新型取代-3-(2,3-二氢-1H-茚-5-基)-4-羟基-1H-吡咯-2,5-二酮及其类似物和盐。这些化合物通过选择特定的结构、中间体或首选反应序列的方法进行合成。这些化合物可用于治疗和预防脑部损伤和水肿，如头部创伤、中风（特别是缺血性中风）、呼吸停止、心脏停搏、Reye综合征、脑血栓形成、脑栓塞、脑出血、脑肿瘤、脑炎、脊髓损伤、脑积水、术后脑损伤、由脑部感染引起的水肿和各种脑震荡。
• Use of
  申请人：Merck & Co., Inc.

  公开号：US04605664A1

  公开（公告）日：1986-08-12

  The invention relates to novel substituted-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1H-pyrrole-2,5-diones, their analogs and their salts. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke (particularly ischemic), arrested breathing, cardiac arrest, Reye's syndrome, cerebral thrombosis, cerebral embolism, cerebral hemorrhage, cerebral tumors, encephalomyelitis, spinal cord injury, hydrocephalus, post-operative brain injury trauma, edema due to cerebral infections and various brain concussions.

  本发明涉及新型的取代-3-(2,3-二氢-1H-茚-5-基)-4-羟基-1H-吡咯-2,5-二酮，它们的类似物和盐。这些化合物通过根据特定结构、中间体的选择或首选反应序列从多种合成途径中选择的方法合成。这些化合物可用于治疗和预防脑部损伤和由头部创伤、中风（特别是缺血性）、呼吸停止、心脏骤停、Reye综合征、脑血栓形成、脑栓塞、脑出血、脑肿瘤、脑脊髓炎、脊髓损伤、脑积水、术后脑损伤创伤、由脑部感染和各种脑震荡引起的水肿。
• Substituted-3-
  申请人：Merck & Co., Inc.

  公开号：US04634717A1

  公开（公告）日：1987-01-06

  The invention relates to novel substituted-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1H-pyrrole-2,5-diones, their analogs and their salts. These compounds are synthesized by methods selected from a number of synthetic routes depending on the particular structure, choice of intermediate or preferred reaction sequence. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke (particularly ischemic), arrested breathing, cardiac arrest, Reye's syndrome, cerebral thrombosis, cerebral embolism, cerebral hemorrhage, cerebral tumors, encephalomyelitis, spinal cord injury, hydrocephalus, post-operative brain injury trauma, edema due to cerebral infections and various brain concussions.

  本发明涉及新型取代的3-(2,3-二氢-1H-茚-5-基)-4-羟基-1H-吡咯-2,5-二酮及其类似物和盐。这些化合物通过从多种合成途径中选择的方法合成，具体取决于特定结构、中间体的选择或优选反应顺序。这些化合物可用于治疗和预防由于头部创伤、中风(特别是缺血性中风)、呼吸停止、心脏骤停、Reye综合征、脑血栓形成、脑栓塞、脑出血、脑肿瘤、脑炎、脊髓损伤、脑积水、术后脑损伤创伤、由于脑感染和各种脑震荡引起的水肿。