4-iodo-dibenzosuberone | 70911-04-5

• 分子结构分类: 有机化合物
• 英文名称: 4-iodo-dibenzosuberone
• 英文别名: 4-iodo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one；4-Iododibenzosuberon；4-iodo-10,11-dihydro-5H-dibenzo[a,d]cycloheptan-5-one；4-iodo-dibenzosuberenone；4-Iodotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
• CAS: 70911-04-5
• 化学式: C₁₅H₁₁IO
• 分子量: 334.156
• InChiKey: RGPUBUGQCXBDOF-UHFFFAOYSA-N

物化性质

• 沸点：
  437.5±45.0 °C(Predicted)
• 密度：
  1.651±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-iodo-dibenzosuberone 在 盐酸 、 硫酸 、 硝酸 、 铁粉 、 氯化铵 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 14.0h， 生成 3-aminoacrilate-6-iodo-10,11-dihydro-5H-dibenzo[a,d]cycloheptane-5-one
  参考文献：
  名称：

  Romeiro, Gilberto A.; Martins, Paulo Roberto C., Heterocyclic Communications, 2003, vol. 9, # 5, p. 493 - 498

  摘要：

  DOI：
• 作为产物：
  描述：

  10,11-二氢二苯并[a,b]环庚烯-5-酮 在 三氟乙酸 、 thallium(III) trifluoroacetate 、 potassium iodide 作用下， 以 水 为溶剂， 反应 45.5h， 以83%的产率得到4-iodo-dibenzosuberone
  参考文献：
  名称：

  4-Thio Derivatives of Dibenzosuberone: Potential Antidepressant Compounds

  摘要：

  这项研究描述了九种 4-硫代二苯并庚酮衍生物（10,11-二氢-5H-二苯并[a,d]环庚烷-5-酮衍生物）的合成系列。利用 Ullmanns 反应从 4-iodo 二苯并环庚酮 9 合成了六种 4-thio 二苯并环庚酮衍生物 10-15。化合物 9 是通过使用 TTFA [三氟乙酸铊 (III)] 和 KI 从二苯甲酮 7 合成的。水解 10 得到衍生物 14。化合物 17 是通过 14 的氯化反应制备的，通过胺化反应生成 4-硫代衍生物 18。

  DOI：

  10.2174/157017810791514634

文献信息

• [EN] MACROCYCLIC FLU ENDONUCLEASE INHIBITORS<br/>[FR] INHIBITEURS MACROCYCLIQUES D'ENDONUCLÉASE DE LA GRIPPE
  申请人：JANSSEN BIOPHARMA INC

  公开号：WO2020075080A1

  公开（公告）日：2020-04-16

  The present invention relates to macrocyclic pyridotriazine derivatives of formula (I) and the pharmaceutically acceptable salts, solvates or or polymorph thereof, and the use of such compounds as a medicament, in particular in the prevention and/or treatment of viral infections caused by viruses belonging to the Orthomyxoviridae famiIy. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the compounds, and to the compositions or preparations for use as a medicament, more preferably for the prevention or treatment of viral infections caused by viruses belonging to the Orthomyxoviridae family.

  本发明涉及公式（I）的大环吡啶三嗪衍生物及其药学上可接受的盐、溶剂化合物或多型体，以及将这些化合物作为药物的用途，特别是用于预防和/或治疗由属于Orthomyxoviridae家族的病毒引起的病毒感染。本发明还涉及药物组合物或混合制剂，以及用作药物的组合物或制剂，更偏好用于预防或治疗由属于Orthomyxoviridae家族的病毒引起的病毒感染。
• Macrocyclic flu endonuclease inhibitors
  申请人：Janssen BioPharma, Inc.

  公开号：US11312727B1

  公开（公告）日：2022-04-26

  The present invention relates to macrocyclic pyridotriazine derivatives of formula (I) and the pharmaceutically acceptable salts, solvates or polymorph thereof, and the use of such compounds as a medicament, in particular in the prevention and/or treatment of viral infections caused by viruses belonging to the Orthomyxoviridae family. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the compounds, and to the compositions or preparations for use as a medicament, more preferably for the prevention or treatment of viral infections caused by viruses belonging to the Orthomyxoviridae family.

  本发明涉及式(I)的大环哒嗪衍生物及其药学上可接受的盐、溶解物或多晶型物，以及此类化合物作为药物的用途，特别是用于预防和/或治疗由属于正粘病毒科的病毒引起的病毒感染。本发明还涉及化合物的药物组合物或组合制剂，以及用作药物的组合物或制剂，更优选用于预防或治疗由属于Orthomyxoviridae科的病毒引起的病毒感染。
• ANALOGUES OF ANTIDEPRESSANTS - SYNTHESIS OF NEW 4-AMINE DERIVATIVES OF 10,11-DIHYDRO-5H-DIBENZO[a,d]CYCLOHEPTANE
  作者：Gilberto A. Romeiro、Paulo Roberto C. Martins

  DOI：10.1515/hc.2001.7.3.227

  日期：2001.1
• Antidepressant-like profile of action of two 4-amine derivatives of 10,11-dihydro-5H-dibenzo [a,d] cycloheptane in mice evaluated in the forced swimming test
  作者：Filipe Silveira Duarte、Paulo Roberto Codeço Martins、Gilberto Alves Romeiro、Thereza Christina Monteiro De Lima

  DOI：10.1016/j.bmc.2006.12.014

  日期：2007.2

  This study investigated the antidepressant-like effect of 4-amine derivatives of 10,11-dihydro-5H-dibenzo-alkylaminecycloheptane, 4-amine (3-N,N-dimethylpropylamine)-10,11-dihydro-5H-dibenzo[a,d]cycloheptane-5-one (ADDCH1) and 1,2,3,4,8,9-hexahydro-dibenzocyclohepta[4,4a,5-ef]1,4-diazepin (ADDCH2), in a validated experimental model of depression, the forced swimming test (FST) in mice. Female adult mice were sub-chronically (three doses in 24 h) or repeatedly (once a day for 10 days) treated with either of the compounds and evaluated in the FST. The sub-chronic treatment promoted a dose-dependent reduction in the immobility time in the FST with the doses of 50 mg/kg (ADDCH1) and 30 mg/kg (ADDCH2) ip being the most effective (33% and 37% of reduction, respectively). A similar profile of action was observed in the animals repeatedly treated with ADDCH1 50 mg/kg or ADDCH2 30 mg/kg ip (for 10 days) and there was no sign of motor impairment or locomotor activation as evaluated in the rota-rod and open-field tests, respectively. These findings suggest that these amine derivatives of the system dibenzo-cycloheptane have an antidepressant-like action which could be of clinical interest and, therefore, deserves further investigation. In addition, putative underlying mechanisms of action are discussed. (c) 2007 Elsevier Ltd. All rights reserved.
• HOLLINS R. A.; MARTINS P. R. C., J. HETEROCYCL. CHEM., 1979, 16, NO 4, 681-683
  作者：HOLLINS R. A.、 MARTINS P. R. C.

  DOI：——

  日期：——