6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine | 30858-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
• 英文别名: 6-phenyl-4H-s-triazolo-[4,3-a][1,4]benzodiazepine；6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine；6-phenyl-4H-s-triazolo[4,3-a][1,4-]benzodiazepine；6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• CAS: 30858-50-5
• 化学式: C₁₆H₁₂N₄
• 分子量: 260.298
• InChiKey: GSIGZZKHXAAYOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine 、 dimethylmethyleneammonium chloride 生成 dimethyl-(6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-1-ylmethyl)-amine
  参考文献：
  名称：

  Process for the production of

  摘要：

  一种制备1-[(二甲基氨基)甲基]-6-取代-4H-s-三唑并[4,3-a][1,4]苯二氮杂环庚烯的方法，包括将4H-s-三唑并[4,3-a][1,4]苯二氮杂环庚烯与试剂##STR1## 反应，其中X.sup.-表示一价酸的阴离子。

  公开号：

  US04001262A1
• 作为产物：
  描述：

  5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one hydrazone 、 ethyl orthoformate 、 硫酸 、 碳酸氢钠 在 ice 、 二氯甲烷 、 水 、 Sodium sulfate-III 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以whereby 6-phenyl-4H-s-triazolo [4,3-a] [1,4] benzodiazepine is yielded as crystals的产率得到6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
  参考文献：
  名称：

  Benzodiazepine derivatives

  摘要：

  通式为 ##STR1## 的苯二氮平衍生物，其中 R.sub.1 是氢或1-8个碳原子的烃基残基，R.sub.2 是氢或较低的烷基，环A和B未取代或被硝基，三氟甲基，卤素，较低的烷基或较低的烷氧基取代，5-位置的氮原子未取代或被氧原子取代，可用作肌肉松弛剂，抗惊厥剂，镇静剂和安定剂，以及其生产方法。还提供了通式为 ##STR2## 的新型中间体，其中R.sub.2具有上述含义，环A和B未取代或被上述物质取代，4-位置的氮原子未取代或被氧原子取代。

  公开号：

  US04116956A1

文献信息

• [3-Substituted-5-[(di-methylamino)methyl]-4H-1,2,4-triazol-
  申请人：The Upjohn Company

  公开号：US04010177A1

  公开（公告）日：1977-03-01

  Compounds of the formula I: ##STR1## wherein R.sub.1 is hydroxymethyl, or -CH.sub.2 NR.sub.6 R.sub.7, in which R.sub.6 is -CH.sub.2 -C.tbd.CH, -CH.sub.2 -CH=CH.sub.2, ##STR2## or alkyl of 1 to 3 carbon atoms, inclusive; R.sub.7 is hydrogen or alkyl of 1 to 3 carbon atoms, or together ##STR3## is pyrrolidino, piperidino or morpholino; wherein R.sub.2 is hydrogen, chlorine or fluorine; wherein R.sub.3 is hydrogen, or fluorine if R.sub.2 is fluorine; wherein R.sub.4 is hydrogen, fluorine, chlorine, bromine, nitro, or trifluoromethyl; and wherein R.sub.5 is hydrogen, methyl or ethyl. These compounds, except those in which R.sub.7 is hydrogen, are produced by heating a compound of formula II: ##STR4## wherein R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are defined as hereinabove, and wherein R'.sub.1 is the same as R.sub.1 except that in defining R'.sub.1,R.sub.7 may not be hydrogen, with aqueous formaldehyde in formic acid solution at reflux temperature (about 100.degree. C.). Compounds in which R.sub.7 are hydrogen require steps further shown in the specification. The compounds of formula I and their pharmacologically acceptable acid addition salts thereof have tranquilizing, anti-anxiety and anti-convulsant activity useful for the treatment of animals and man.

  公式I的化合物：##STR1## 其中R.sub.1是羟甲基或-CH.sub.2 NR.sub.6 R.sub.7，其中R.sub.6是-CH.sub.2 -C.tbd.CH，-CH.sub.2 -CH=CH.sub.2，##STR2##或包括1至3个碳原子的烷基; R.sub.7是氢或包括哒啶基，哌啶基或吗啡啶基; R.sub.2是氢，氯或氟; R.sub.3是氢，如果R.sub.2为氟，则为氟; R.sub.4是氢，氟，氯，溴，硝基或三氟甲基; R.sub.5是氢，甲基或乙基。除了R.sub.7为氢的化合物外，这些化合物是通过将公式II的化合物加热而产生的：##STR4##其中R.sub.2，R.sub.3，R.sub.4和R.sub.5的定义如上所述，而R'.sub.1与R.sub.1相同，但在定义R'.sub.1时，R.sub.7可能不是氢，在甲酸溶液中以回流温度（约100°C）与水甲醛反应。其中R.sub.7为氢的化合物需要在规范中进一步步骤。公式I的化合物及其药理学上可接受的酸加盐具有镇静，抗焦虑和抗惊厥活性，可用于动物和人的治疗。
• 1-(Aminoalkyl)
  申请人：The Upjohn Company

  公开号：US04250094A1

  公开（公告）日：1981-02-10

  1-(Aminoalkyl) substituted-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines of the formula II: ##STR1## wherein R.sub.0 is selected from the group consisting of hydrogen, methyl, or ethyl; wherein R' and R" are selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms, inclusive; wherein R.sub.1 is selected from the group consisting of hydrogen, alkyl as defined above; wherein R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are selected from the group consisting of hydrogen, alkyl as defined above, halogen, nitro, cyano, trifluoromethyl, and alkoxy, alkylthio, alkylsulfinyl, and alkylsulfonyl, in which the carbon chain moieties are of 1 to 3 carbon atoms, inclusive, are prepared by reacting a compound of the formula: ##STR2## wherein X is chlorine or bromine and wherein R.sub.0, R.sub.1, R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are defined as above with an amine of the formula: ##STR3## wherein R' and R" are defined as above. The new products of formula II including their pharmacologically acceptable acid addition salts and N-oxides are useful as sedatives, tranquilizers, muscle relaxants and antidepressants in mammals and birds.

  式II中的1-(氨基烷基)取代-6-苯基-4H-s-三唑并[4,3-a][1,4]苯二氮平，其中R.sub.0从氢、甲基或乙基中选择；其中R'和R"从氢和1到3个碳原子的烷基中选择；其中R.sub.1从氢和上述定义的烷基中选择；其中R.sub.2、R.sub.3、R.sub.4和R.sub.5从氢、上述定义的烷基、卤素、硝基、氰基、三氟甲基、烷氧基、烷硫基、烷基亚磺酰基中选择，其中碳链基团为1到3个碳原子，包括通过将式中R.sub.0、R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.5定义为上述的化合物与式为： ##STR2## 其中X为氯或溴，R.sub.0、R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.5如上所定义，与式为： ##STR3## 其中R'和R"如上所定义的胺反应制备而成。式II的新产品，包括其药理学上可接受的酸盐和N-氧化物，可用作哺乳动物和鸟类的镇静剂、安定剂、肌肉松弛剂和抗抑郁剂。
• Benzodiazepines for treating panic disorders
  申请人：THE UPJOHN COMPANY

  公开号：EP0104053A1

  公开（公告）日：1984-03-28

  Therapeutic process for treating panic disorders in humans comprising the systemic administration of a compound of the formula in which X is selected from the group consisting of-H, -CH3, and wherein R is hydrogen, alkyl of from 1 to 3 carbon atoms, wherein n is 0 to 16, and m is 1 to 16; including the N-oxides, esters, and pharmacologically acceptable acid addition salts thereof.

  用于治疗人类恐慌症的治疗过程，包括全身给药式如下的化合物 其中 X 选自 H、-CH3、 和 其中 R 是氢、1 至 3 个碳原子的烷基、 其中 n 为 0 至 16，m 为 1 至 16；包括其 N-氧化物、酯和药理学上可接受的酸加成盐。
• Benzodiazepines and their therapeutic use
  申请人：THE UPJOHN COMPANY

  公开号：EP0139460A2

  公开（公告）日：1985-05-02

  For treating the negative symptoms of schizophrenia in humans, a benzodiazepine of the formula wherein X is H, CH3, CH2OH, alkoxymethyl, alkanoyloxymethyl or carboxyalkanoyloxymethyl, Y is H or OH and Z is H or Cl, is used.

  为治疗人类精神分裂症的阴性症状，可使用一种苯二氮卓类药物，其式中 X 为 H、CH3、CH2OH、烷氧基甲基、烷酰氧基甲基或羧基烷酰氧基甲基，Y 为 H 或 OH，Z 为 H 或 Cl。
• Water stabilized medicinal aerosol formulation
  申请人：——

  公开号：US20030091512A1

  公开（公告）日：2003-05-15

  This invention relates to a medicinal aerosol suspension formulation and more particularly, to a medicinal aerosol formulation containing a particulate drug or a combination of at least two particulate drugs, a propellant and a stabilizing agent comprising a water addition.

  本发明涉及一种药用气溶胶悬浮制剂，更具体地说，涉及一种药用气溶胶制剂，该制剂含有一种微粒药物或至少两种微粒药物的组合、一种推进剂和一种稳定剂，其中包括一种水添加剂。