6,7-dichloro-2-cyclopentyl-2-ethyl-2,3-dihydro-5-hydroxy-1H-inden-1-one | 64337-20-8

• 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-ethyl-2,3-dihydro-5-hydroxy-1H-inden-1-one
• 英文别名: 6,7-dichloro-2-cyclopentyl-5-hydroxy-2-ethyl-2,3-dihydro-1H-inden-1-one；6,7-dichloro-2-cyclopentyl-2-ethyl-5-hydroxy-3H-inden-1-one
• CAS: 64337-20-8
• 化学式: C₁₆H₁₈Cl₂O₂
• 分子量: 313.224
• InChiKey: ZWEVGRVRNOZSKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  457.3±45.0 °C(Predicted)
• 密度：
  1.328±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-dichloro-2-cyclopentyl-2-ethyl-2,3-dihydro-5-hydroxy-1H-inden-1-one 生成 Sodium 3-[(6,7-dichloro-2-cyclopentyl-2-ethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]propanesulfonate hydrate
  参考文献：
  名称：

  [(2-substituted 1,2-dihydro-1-oxo-1H-inden-5-yl)oxy]alkanesulfonic acids

  摘要：

  本发明涉及新型[(2-取代的1,2-二氢-1-氧-1H-茚-5-基)氧基]烷磺酸及其盐。这些化合物可用于治疗和预防脑损伤和由头部创伤、中风（特别是缺血性）、呼吸停止、心跳骤停、Reye综合症、脑血栓形成、脑栓塞、艾滋病引起的神经问题、脑出血、脑肿瘤、脑炎、脊髓损伤、脑积水、术后脑损伤创伤、由脑感染引起的水肿、各种脑震荡和颅内压升高所致的水肿。

  公开号：

  US04771076A1

文献信息

• 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。
• Agents for the treatment of brain injury. 1. (Aryloxy)alkanoic acids
  作者：E. J. Cragoe、N. P. Gould、O. W. Woltersdorf、C. Ziegler、R. S. Bourke、L. R. Nelson、H. K. Kimelberg、J. B. Waldman、A. J. Popp、N. Sedransk

  DOI：10.1021/jm00347a017

  日期：1982.5

  Blunt and ischemic injuries of the brain have been shown to result in swelling that is predominantly limited to a single cell type, the astrocyte, within the complex cellular mosiac of cerebral gray matter. Evaluation of various diuretic (aryloxy)acetic acids in vitro using incubating cat brain slices and primary astrocyte cultures identified compounds with marked ability to inhibit brain tissue swelling. Some of the compounds significantly reduced the mortality and morbidity following acceleration/deceleration brain injury in anesthesized cats. A variety of (indanyloxy)alkanoic acids were synthesized which were analogous to the dually active (indanyloxy)acetic acids. Some of the 4-(indanyloxy)butanoic acids were found to be devoid of diuretic activity but to possess equal or greater activity than the dually active compounds in the in vitro and in vivo brain assays. Selected examples from both the (indanyloxy)acetic and 4-(indanyloxy)butanoic acid series showed marked chiral effects, with one enantiomer generally exhibiting a much greater activity than the other. A clinical study of severely head-injured patients treated with ethacrynic acid demonstrated a significantly improved outcome when compared to controls. These data suggest a clinical advantage for the nondiuretic (aryloxy)alkanoic acids which possess in vitro and in vivo activities in the cat brain assays that are comparable or superior to dually active compounds.
• CRAGOE, E. J. ,, JR;GOULD, N. P.;WOLTERSDORF, O. W. ,, JR;ZIEGLER, C., J. MED. CHEM., 1982, 25, N 5, 567-579
  作者：CRAGOE, E. J. ,, JR、GOULD, N. P.、WOLTERSDORF, O. W. ,, JR、ZIEGLER, C.

  DOI：——

  日期：——
• WOLTERSDORF O. W. JR.; SOLMS S. J. DE; SCHULTZ E. M.; CRAGOE E. J. JR., J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 11, 1400-1408
  作者：WOLTERSDORF O. W. JR.、 SOLMS S. J. DE、 SCHULTZ E. M.、 CRAGOE E. J. JR.

  DOI：——

  日期：——
• Pharmaceutical compositions containing 4-((6,7-Dihalogen-2,3-dihydro-1-oxo-1H-inden-5-yl)-oxy) butanoic acid compounds
  申请人：Merck & Co., Inc.

  公开号：EP0047011B1

  公开（公告）日：1985-06-19