5,6-dichloro-1,2,9,9a-tetrahydro-7-methoxy-9a-propyl-3H-fluoren-3-one | 121913-81-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 5,6-dichloro-1,2,9,9a-tetrahydro-7-methoxy-9a-propyl-3H-fluoren-3-one
• 英文别名: 5,6-dichloro-7-methoxy-9a-propyl-2,9-dihydro-1H-fluoren-3-one
• CAS: 121913-81-3
• 化学式: C₁₇H₁₈Cl₂O₂
• 分子量: 325.235
• InChiKey: PAKMISJIDZMRBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,6-dichloro-1,2,9,9a-tetrahydro-7-methoxy-9a-propyl-3H-fluoren-3-one 在 吡啶盐酸盐 、 potassium carbonate 、 potassium hydroxide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 0.5h， 生成 DPOFA
  参考文献：
  名称：

  [EN] FLUORENONE COMPOUND FOR THE TREATMENT OF GOUT
  [FR] COMPOSÉ DE POUR LE TRAITEMENT DE LA GOUTTE

  摘要：

  本发明提供了一种治疗或预防痛风的方法，包括向患有痛风的受试者施用所述化合物或其酯或盐，从而治疗或预防该受试者的痛风。

  公开号：

  WO2017083652A1
• 作为产物：
  描述：

  2,3-二氯茴香醚 在 aluminum (III) chloride 、 硫酸 、 乙酸酐 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 18.0h， 生成 5,6-dichloro-1,2,9,9a-tetrahydro-7-methoxy-9a-propyl-3H-fluoren-3-one
  参考文献：
  名称：

  [EN] FLUORENONE COMPOUND FOR THE TREATMENT OF GOUT
  [FR] COMPOSÉ DE POUR LE TRAITEMENT DE LA GOUTTE

  摘要：

  本发明提供了一种治疗或预防痛风的方法，包括向患有痛风的受试者施用所述化合物或其酯或盐，从而治疗或预防该受试者的痛风。

  公开号：

  WO2017083652A1

文献信息

• ((5,6-dichloro-3-oxo-9,9a-d
  申请人：Merck & Co., Inc.

  公开号：US04797391A1

  公开（公告）日：1989-01-10

  The invention relates to novel [(5,6-dichloro-3-oxo-9,9a-disubstituted-2,3,9,9a-tetrahydro-fluoren-7-yl)o xy]alkanoic acids and alkanimidamides, their derivatives and their salts. 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, various brain concussions and elevated intracranial pressure.

  本发明涉及新型[(5,6-二氯-3-氧代-9,9a-二取代-2,3,9,9a-四氢-芴-7-基)氧基]烷酸和烷基亚胺酰衍生物及其盐。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、心脏停止、Reye综合症、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、手术后脑损伤、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。
• Preparation of an enantiomer of a substituted fluorenyloxyacetic acid
  申请人：Merck & Co., Inc.

  公开号：US04704472A1

  公开（公告）日：1987-11-03

  A process for direct preparation of an enantiomer of a substituted fluorenyloxyacetic acid is disclosed. The acetic acid derivative is useful for treating brain edema.

  揭示了一种直接制备取代的芴氧乙酸手性异构体的方法。该乙酸衍生物对治疗脑水肿具有用处。
• Process using achiral co-catalyst promoter for chiral phase transfer
  申请人：Merck & Co., Inc.

  公开号：US04605761A1

  公开（公告）日：1986-08-12

  An improved method for the direct preparation of an enantiomer of a substituted fluorenyloxyacetic acid including the enhancement of a chiral phase transfer alkylation step in the synthesis using a non-ionic surfactant as co-catalyst. The substituted fluorenyloxyacetic acid is useful in the treatment of brain edema.

  一种改进的方法，用于直接制备取代氟伦酚氧乙酸的对映体，包括在合成中增强手性相转移烷基化步骤，使用非离子表面活性剂作为共催化剂。取代氟伦酚氧乙酸在治疗脑水肿方面有用。
• Fluorenone compound for the treatment of gout
  申请人：Petrukhin Konstantin

  公开号：US11000492B2

  公开（公告）日：2021-05-11

  The present invention provides a method for treating or preventing gout in a subject afflicted therewith comprising administering a compound presented or an ester or salt thereof, so as to thereby treat or prevent the gout in the subject.

  本发明提供了一种治疗或预防患有痛风的受试者痛风的方法，包括施用所提出的化合物或其酯或盐，从而治疗或预防受试者的痛风。
• Agents for the treatment of brain edema. 2. [(2,3,9,9a-Tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)oxy]alkanoic acids and some of their analogs
  作者：E. J. Cragoe、O. W. Woltersdorf、N. P. Gould、A. M. Pietruszkiewicz、C. Ziegler、Y. Sakurai、G. E. Stokker、P. S. Anderson、R. S. Bourke

  DOI：10.1021/jm00155a038

  日期：1986.5

  Our initial paper discussed brain edema resulting from traumatic head injury and the need for specific and effective agents to treat the disorder and disclosed a novel approach for the discovery of a drug of this kind. The current study describes the synthesis of a series of [(2,3,9,9a-tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)oxy]alk anoic acids and their analogues. These compounds were evaluated in an in vitro cerebrocortical tissue slice assay for their relative potencies in inhibiting K+ + HCO3- induced swelling. Structural modification at a number of sites in the "lead" compound revealed that significant biological activity was inherent only within a very narrow range of structural types. The observation that nearly all the biological activity resided in one of the two enantiomers demonstrated the marked stereospecificity of the most active compounds. One of the most potent compounds, (R)-(+)-[(5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren -7-yl) oxy]acetic acid ((+)-5c), exhibited a dose-response relationship in the in vivo acceleration/deceleration brain edema assay, and the data from the two highest doses were statistically significant. Electron microscopic examination demonstrated that the perivascular astroglial swelling that arises from this procedure is abolished in the animals treated with (+)-5c. This compound is currently being evaluated for its clinical efficacy and safety in the treatment of traumatic head injury.