(+) (+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl) trifluoromethanesulfonate | 71500-89-5

• 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) trifluoromethanesulfonate
• 英文别名: trifluoro-methanesulfonic acid 6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl ester；6,7-dichloro-2-cyclopentyl-2-methyl-1-oxoindan-5-yl trifluoromethylsulfonate；2-cyclopentyl-6,7-dichloro-2-methyl-5-trifluoromethylsulfonyloxy-1-indanone；(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl) trifluoromethanesulfonate
• CAS: 71500-89-5；101930-42-1
• 化学式: C₁₆H₁₅Cl₂F₃O₄S
• 分子量: 431.26
• InChiKey: MHEVJIHAGPHPCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  499.3±45.0 °C(Predicted)
• 密度：
  1.533±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  7

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) trifluoromethanesulfonate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 叠氮基三甲基硅烷 、 二正丁基氧化锡 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 6,7-dichloro-2-cyclopentyl-2-methyl-5-[4-(2H-tetrazol-5-yl)-phenylethynyl]-indan-1-one
  参考文献：
  名称：

  Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 3: Identification and biological activity of indanone containing mGlu2 receptor potentiators

  摘要：

  We have identified and synthesized a series of phenyl-tetrazolyl and 4-thiopyridyl indanones as allosteric potentiators of the metabotropic glutamate receptor 2. Structure activity relationship studies directed toward improving the potency and level of potentiation, as well as PK properties, led to the discovery of 28 (EC50 = 186 nM), which displayed activity in a rodent model for schizophrenia. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.077
• 作为产物：
  描述：

  2-cyclopentyl-2-methyl-5-hydroxy-6,7-dichloro-1-indanone 生成 (+) (+)-(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl) trifluoromethanesulfonate
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• [EN] INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] FACTEURS DE POTENTIALISATION D'INDANONE DE RÉCEPTEURS MÉTABOTROPIQUES DE GLUTAMATES
  申请人：MERCK & CO INC

  公开号：WO2006015158A1

  公开（公告）日：2006-02-09

  The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及一类潜在激活代谢型谷氨酸受体的化合物，包括mGluR2受体，这些化合物在治疗或预防与谷氨酸功能障碍相关的神经系统和精神疾病以及代谢型谷氨酸受体参与的疾病中具有用途。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病中的用途。
• 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。
• Indanacetic acid compounds
  申请人：Merck & Co., Inc.

  公开号：US04249021A1

  公开（公告）日：1981-02-03

  Substituted 1-oxo-2,2-disubstituted-5-indanacetic acids and their salts, esters and amides are disclosed. The products display a dual pharmaceutical utility in that they exhibit diuretic, saluretic and uricosuric activity.

  本文披露了1-氧代-2,2-二取代-5-茚烷乙酸及其盐、酯和酰胺的替代物。这些产品具有双重药物效用，表现出利尿、排钠和尿酸排泄活性。
• 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。