3-nitro-6,7,8,9-tetrahydro-5H-benzocycloheptane | 25178-96-5

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-nitro-6,7,8,9-tetrahydro-5H-benzocycloheptane
• 英文别名: 2-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene；β-Nitrobenzosuberan；2-Nitro-benzosuberan；2-nitro-6,7,8,9-tetrahydro-5H-benzocycloheptene；3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene
• CAS: 25178-96-5
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: KSLJMRROZWLIHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-nitro-6,7,8,9-tetrahydro-5H-benzocycloheptane 在 5%-palladium/activated carbon 氢气 作用下， 以 甲醇 、 氯苯 为溶剂， 反应 64.0h， 生成 1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-piperazine
  参考文献：
  名称：

  Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands

  摘要：

  这项发明涉及一般式（I）的化合物，以及制备这些化合物的方法，以及它们作为治疗剂的用途。

  公开号：

  US20080214542A1
• 作为产物：
  描述：

  6,7-二氢-5H-苯并环庚烯 在 platinum(IV) oxide 氢气 、 硝酸 、 乙酸酐 作用下， 生成 3-nitro-6,7,8,9-tetrahydro-5H-benzocycloheptane
  参考文献：
  名称：

  Cyclopropyl aromatic chemistry. I. Ultraviolet spectra of certain cyclopropyl aromatic systems

  摘要：

  DOI：

  10.1021/ja01041a021

文献信息

• Benzo Annulenes as Antiviral Agents
  申请人：Southern Research Institute

  公开号：US20180230084A1

  公开（公告）日：2018-08-16

  The present disclosure is concerned with benzo annulene compounds that are capable of inhibiting a viral infection and methods of treating viral infections such as, for example, chikungunya, Venezuelan equine encephalitis, dengue, influenza, and zika, using these compounds. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本公开涉及能够抑制病毒感染的苯并螺环化合物，以及使用这些化合物治疗病毒感染的方法，例如，基孔肯亚病毒、委内瑞拉马蹄病毒脑炎、登革热、流感和寨卡等。本摘要旨在作为特定领域搜索的扫描工具，不限制本发明。
• Antitumor Agents. VII. Synthesis and Antitumor Activity of Novel Hexacyclic Camptothecin Analogs
  作者：Masamichi Sugimori、Akio Ejima、Satoru Ohsuki、Kouichi Uoto、Ikuo Mitsui、Kensuke Matsumoto、Yasuyoshi Kawato、Megumi Yasuoka、Keiki Sato

  DOI：10.1021/jm00045a007

  日期：1994.9

  pentacyclic derivatives of camptothecin were synthesized and evaluated for in vitro cytotoxic activity against P388, HOC-21, and QG-56 and in vivo antileukemic activity against P388 in mice. Hexacyclic compounds which have an additional 5-, 6-, or 7-membered ring cyclized at positions 7 and 9 of camptothecin were prepared by intramolecular cyclization of pentacyclic camptothecin derivatives or Friedländer

  合成了喜树碱的11种新的六环和三种7,9-二取代的五环衍生物，并评估了其对小鼠中P388，HOC-21和QG-56的体外细胞毒活性以及对P388的体内抗白血病活性。通过在五环喜树碱衍生物的分子内环化或适当的双环氨基酮和三环酮的弗里德兰德缩合反应制得在喜树碱的7和9位上具有5、6或7元环的环的六环化合物。在不考虑附加环的大小或类型的情况下，所有六环化合物在体外测定中均表现出7-乙基-10-羟基喜树碱（SN-38）的相容性或优异活性，六个化合物中的三个显示出超过300％的T / C进行体内分析。
• [EN] AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER<br/>[FR] INHIBITEURS DE AXL POUR UNE UTILISATION DANS UNE THÉRAPIE DE COMBINAISON POUR PRÉVENIR, TRAITER OU GÉRER UN CANCER MÉTASTASIQUE
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2010083465A1

  公开（公告）日：2010-07-22

  This invention is directed to methods of preventing, treating or managing cancer, preferably metastatic cancer, in a patient. The methods comprise administering an effective amount of an AxI inhibitor in combination with the administation of an effective amount of one or more chemotherapeutic agents.

  本发明涉及一种预防、治疗或管理患者癌症，特别是转移性癌症的方法。该方法包括在给患者适当剂量的AxI抑制剂的同时，与一个或多个化疗药物的适当剂量联合使用。
• Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor
  申请人：Braje Wilfried

  公开号：US20090105224A1

  公开（公告）日：2009-04-23

  The invention relates to tetrahydrobenzazepines of the general formula I in which the variables Ar, A, B, Y, R 1 and R 2 have the meanings indicated in claim 1, as well as the N-oxides of these compounds, the physiologically tolerated acid addition salts of these compounds and the physiologically tolerated acid addition salts of the N-oxides. The invention also relates to a pharmaceutical composition that comprises at least one tetrahydrobenzazepine compound of the formula I, the physically tolerated acid addition salt of I, the N-oxide of compound of the formula I and/or the physically tolerated acid addition salts of the N-oxides of I, and further to the use of a compound according to the present invention for treating disorders that respond beneficially to dopamine D 3 receptor antagonists or dopamine D 3 agonists. The compounds according to the invention are preferably useful for the treatment of disorders of the central nervous system such as schizophrenia and depression and for the treatment of renal function disorders.

  本发明涉及一般式I的四氢苯并氮平类化合物，其中变量Ar、A、B、Y、R1和R2具有权利要求书中所示的含义，以及这些化合物的N-氧化物、生理耐受酸盐和N-氧化物的生理耐受酸盐。本发明还涉及一种药物组合物，包括至少一种式I的四氢苯并氮平化合物、I的生理耐受酸盐、式I的化合物的N-氧化物和/或I的N-氧化物的生理耐受酸盐，以及根据本发明使用化合物治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病。本发明的化合物通常用于治疗中枢神经系统的疾病，如精神分裂症和抑郁症，以及肾功能障碍的治疗。
• Benzo annulenes as antiviral agents
  申请人：Southern Research Institute

  公开号：US10450263B2

  公开（公告）日：2019-10-22

  The present disclosure is concerned with benzo annulene compounds that are capable of inhibiting a viral infection and methods of treating viral infections such as, for example, chikungunya, Venezuelan equine encephalitis, dengue, influenza, and zika, using these compounds. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本公开涉及能够抑制病毒感染的苯并芘化合物，以及使用这些化合物治疗病毒感染的方法，例如基孔肯雅病毒、委内瑞拉马脑炎、登革热、流感和寨卡病毒。本摘要旨在作为在特定技术领域进行搜索的扫描工具，并非对本发明的限制。