3,4-dihydro-6-iodo-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione | 84377-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶二氮卓类
• 英文名称: 3,4-dihydro-6-iodo-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione
• 英文别名: 6-Iodo-4-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione；6-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
• CAS: 84377-93-5
• 化学式: C₁₀H₉IN₂O₂
• 分子量: 316.098
• InChiKey: KHIOEORWVZGOQU-UHFFFAOYSA-N

物化性质

• 沸点：
  494.9±45.0 °C(Predicted)
• 密度：
  1.794±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-6-iodo-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione 在 polymer-supported diphenylphosphine 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 9-chloro-4-iodo-6-methyl-6,7-dihydro-6,8,13a-triaza-benzo[3,4]cyclohepta[1,2-b]naphthalene-5,13-dione
  参考文献：
  名称：

  A Concise Building Block Approachto a Diverse Multi-Arrayed Library of the Circumdatin Family ofNatural Products

  摘要：

  使用聚合物支持的膦介导的分子内氮杂维蒂希反应，在反应序列的关键步骤中，采用一种新型改良的Eguchi协议制备了一系列多样化的苯二氮杂氮烷-喹唑啉酮生物碱（Circumdatins）。多元化库的生成策略从易于获取的苯二氮杂双酮衍生物（和氨基苯甲酸）开始，所有库成员均通过反相制备HPLC进行纯化。

  DOI：

  10.1055/s-2003-40870
• 作为产物：
  描述：

  5-iodo-2H-3,1-benzoxazine-2,4(1H)-dione 生成 3,4-dihydro-6-iodo-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione
  参考文献：
  名称：

  Aust. J. Chem. 1999, 52, 1061-1069

  摘要：

  DOI：

文献信息

• Imidazo-benzodiazepines and their use
  申请人：Hoffmann-La Roche Inc.

  公开号：US04352815A1

  公开（公告）日：1982-10-05

  There is provided imidazodiazepines of the formula ##STR1## wherein R.sup.1 is methyl, ethyl or isopropyl, one of R.sup.4 and R.sup.5 is hydrogen and the other is nitro or cyano, and either R.sup.2 is hydrogen and R.sup.3 is hydrogen or lower alkyl or R.sup.2 and R.sup.3 together are dimethylene, trimethylene or propenylene and the carbon atom denoted as .gamma. has the (S)-- or (R,S)-- configuration, and X is an oxygen or sulphur atom, and their pharmaceutically acceptable acid addition salts. The compounds are useful in the antagonization of the central-depressant muscle relaxant, ataxic, blood pressure-lowering and respiratory-depressant properties of 1,4-benzodiazepines which have tranquillizing activity. They can also be used for suppressing the activities on the central nervous system of 1,4-benzodiazepines used in other fields of indication, for example of schistosomicidally-active 1,4-benzodiazepines. Also provided are methods for making the compounds.

  提供了公式为##STR1##的咪唑二氮杂环己烷衍生物，其中R.sup.1为甲基、乙基或异丙基，R.sup.4和R.sup.5中的一个为氢，另一个为硝基或氰基，R.sup.2为氢，R.sup.3为氢或较低的烷基，或者R.sup.2和R.sup.3一起为二甲基、三甲基或丙烯基，标记为γ的碳原子具有(S)-或(R,S)-构型，X为氧或硫原子，以及它们的药学上可接受的酸盐。这些化合物在对抗具有镇静作用的1,4-苯二氮杂环己烷的中枢抑制性肌肉松弛、共济失调、降低血压和呼吸抑制性能方面很有用。它们还可用于抑制1,4-苯二氮杂环己烷在其他适应症领域中的中枢神经系统活性，例如对裂体杀虫活性的1,4-苯二氮杂环己烷。同时还提供了制备这些化合物的方法。
• Imidazo-diazepines and their use
  申请人：Hoffmann-La Roche Inc.

  公开号：US04352817A1

  公开（公告）日：1982-10-05

  There is provided imidazodiazepines of the formula ##STR1## wherein A together with the two carbon atoms denoted as .alpha. and .beta. is the group ##STR2## X is an oxygen or sulphur atom and R.sup.1 is hydrogen or lower alkyl, and either R.sup.2 is hydrogen, trifluoromethyl, halogen, cyano or nitro and R.sup.3 is hydrogen or R.sup.2 is hydrogen and R.sup.3 is trifluoromethyl, halogen, cyano, nitro or lower alkyl, and their pharmaceutically acceptable acid addition salts. The compounds are useful in the antagonization of the central-depressant, muscle relaxant, ataxic, blood pressure-lowering and respiratory-depressant properties of 1,4-benzodiazepines which have tranquillizing activity, for example as antidotes in the case of intoxications with 1,4-benzodiazepines which have tranquillizing activity. Also presented are methods to produce the above imidazodiazepines.

  提供了以下结构的咪唑二氮杂环丙烷类化合物：其中A与标记为α和β的两个碳原子一起是基团，X是氧原子或硫原子，R.sup.1是氢原子或低碳基，R.sup.2是氢原子、三氟甲基、卤素、氰基或硝基，R.sup.3是氢原子或R.sup.2是氢原子且R.sup.3是三氟甲基、卤素、氰基、硝基或低碳基，以及它们的药用可接受的酸盐。这些化合物可用于拮抗具有镇静作用的1,4-苯二氮杂环丙烷类化合物的中枢抑制、肌肉松弛、共济失调、降低血压和呼吸抑制特性，例如作为中毒1,4-苯二氮杂环丙烷类化合物的镇静活性的解毒剂。还提供了制备上述咪唑二氮杂环丙烷类化合物的方法。
• Benzodiazepine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04405516A1

  公开（公告）日：1983-09-20

  There is provided imidazodiazepines of the formula ##STR1## wherein R.sup.1 is methyl, ethyl or isopropyl, one of R.sup.4 and R.sup.5 is hydrogen and the other is nitro or cyano, and either R.sup.2 is hydrogen and R.sup.3 is hydrogen or lower alkyl or R.sup.2 and R.sup.3 together are dimethylene, trimethylene or propenylene and the carbon atom denoted as .gamma. has the (S)- or (R,S)- configuration, and X is an oxygen or sulphur atom, and their pharmaceutically acceptable acid addition salts. The compounds are useful in the antagonization of the central-depressant muscle relaxant, ataxic, blood pressure-lowering and respiratory-depressant properties of 1,4-benzodiazepines which have tranquillizing activity. They can also be used for suppressing the activities on the central nervous system of 1,4-benzodiazepines used in other fields of indication, for example of schistosomicidally-active 1,4-benzodiazepines. Also provided are methods for making the compounds.

  提供的是公式为##STR1##的咪唑二氮平类化合物，其中R.sup.1是甲基、乙基或异丙基，R.sup.4和R.sup.5中的一个是氢，另一个是硝基或氰基，R.sup.2是氢，R.sup.3是氢或低碳基，或者R.sup.2和R.sup.3一起是二甲亚烷、三甲亚烷或丙烯亚烷，被标记为γ的碳原子具有(S)-或(R,S)-构型，X是氧或硫原子，以及它们的药学上可接受的酸盐。这些化合物在拮抗具有镇静作用的1,4-苯二氮平的中枢抑制肌肉松弛、共济失调、降低血压和呼吸抑制性质方面非常有用。它们也可以用于抑制1,4-苯二氮平在其他适应症领域中对中枢神经系统的作用，例如对血吸虫活性的1,4-苯二氮平。同时还提供了制备这些化合物的方法。
• Imidazo[1,5a][1,4]benzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04386028A1

  公开（公告）日：1983-05-31

  There is provided imidazodiazepines of the formula ##STR1## wherein R.sup.1 is methyl, ethyl or isopropyl, one of R.sup.4 and R.sup.5 is hydrogen and the other is nitro or cyano, and either R.sup.2 is hydrogen and R.sup.3 is hydrogen or lower alkyl or R.sup.2 and R.sup.3 together are dimethylene, trimethylene or propenylene and the carbon atom denoted as .gamma. has the (S)- or (R,S)-configuration, and X is an oxygen or sulphur atom, and their pharmaceutically acceptable acid addition salts. The compounds are useful in the antagonization of the central-depressant muscle relaxant, ataxic, blood pressure-lowering and respiratory-depressant properties of 1,4-benzodiazepines which have tranquillizing activity. They can also be used for suppressing the activities on the central nervous system of 1,4-benzodiazepines used in other fields of indication, for example of schistosomicidally-active 1,4-benzodiazepines. Also provided are methods for making the compounds.

  提供的为公式##STR1##中的咪唑二氮平，其中R.sup.1是甲基、乙基或异丙基，R.sup.4和R.sup.5中的一个是氢，另一个是硝基或氰基，而R.sup.2是氢并且R.sup.3是氢或低碳基，或者R.sup.2和R.sup.3一起是二亚甲基、三亚甲基或丙烯亚甲基，而被表示为γ的碳原子具有（S）-或（R，S）-构型，X是氧或硫原子，并且它们的药学上可接受的酸盐也提供了。这些化合物可用于拮抗具有镇静作用的1,4-苯二氮平的中枢抑制肌肉松弛、共济失调、降压和呼吸抑制特性。它们还可用于抑制在其他适应症领域中使用的1,4-苯二氮平对中枢神经系统的活动，例如对于血吸虫活性的1,4-苯二氮平。还提供了制备这些化合物的方法。
• US4352815A
  申请人：——

  公开号：US4352815A

  公开（公告）日：1982-10-05