3-[2-((6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy)ethyl]-4-hydroxy-1H-pyrrole-2,5-dione 1-methylpiperazine salt | 101930-33-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 3-[2-((6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy)ethyl]-4-hydroxy-1H-pyrrole-2,5-dione 1-methylpiperazine salt
• 英文别名: 3-[2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]ethyl]-4-hydroxypyrrole-2,5-dione;1-methylpiperazine
• CAS: 101930-33-0
• 化学式: C₅H₁₂N₂*C₂₁H₂₁Cl₂NO₅
• 分子量: 538.471
• InChiKey: KIMSLBACSKKUKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 3-[2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]ethyl]-4-hydroxypyrrole-2,5-dione 生成 3-[2-((6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)oxy)ethyl]-4-hydroxy-1H-pyrrole-2,5-dione 1-methylpiperazine salt
  参考文献：
  名称：

  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。
• Substituted-3-(2,3-dihydro-1H-inden-5-yl)-4-Hydroxy-1H-Pyrrole-2,5-diones, their analogs and their salts
  申请人：Merck & Co., Inc.

  公开号：EP0160891A1

  公开（公告）日：1985-11-13

  The invention relates to novel compounds of the formula: in which R and R' are different entities and wherein A is a bond, -0- or -0-(CH2)q; q is 1 to 5; z is 0 or H and OH; R is cycloalkyl, cycloalkyl-lower alkyl, aryl selected from phenyl, halophenyl, methoxyphenyl, hydroxyphenyl, heterocyclic including thienyl, aralkyl selected from benzyl and phenethyl, lower alkyl, lower alkenyl or lower alkynyl; R' is lower alkyl, lower alkenyl; or lower alkynyl; and X and Y are selected from halo and methyl provided that when A is a bond or when A is -O- and z is H and OH, R is not cycloalkyl or alkyl when R' is lower alkyl and both X and Y are chloro when the compounds are racemic. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke, arrested breathing, cardiac arrest, Reye's syndrom, 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.

  本发明涉及式如下的新型化合物： 其中 R 和 R' 为不同的实体，且 A 是键、-0- 或 -0-(CH2)q q 是 1 至 5 z 是 0 或 H 和 OH； R 是环烷基、环烷基-低级烷基、选自苯基、卤代苯基、甲氧基苯基、羟基苯基的芳基、包括噻吩基在内的杂环基、选自苄基和苯乙基的芳烷基、低级烷基、低级烯基或低级炔基； R' 是低级烷基、低级烯基或低级炔基； X和Y选自卤代和甲基，条件是当A为键或当A为-O-且z为H和OH时，R不是环烷基或当R'为低级烷基时，R不是烷基，且当化合物为外消旋体时，X和Y均为氯代。 这些化合物可用于治疗和预防头部创伤、中风、呼吸停止、心脏骤停、雷氏综合征、脑血栓、脑栓塞、脑出血、脑肿瘤、脑脊髓炎、脊髓损伤、脑积水、脑外伤术后创伤、脑部感染引起的水肿以及各种脑震荡引起的脑部损伤和水肿。
• ——
  作者：CRAGOE E. J., JR.、 WOLTERSDORF O. W., JR.

  DOI：——

  日期：——
• ——
  作者：CRAGOE E. J., JR.、 WOLTERSDORF O. W., JR.

  DOI：——

  日期：——
• US4596821A
  申请人：——

  公开号：US4596821A

  公开（公告）日：1986-06-24