3-ethyl-7,12-dimethyl-7,12-dihydro-3H-benzo[b]pyrazolo[4',3':5,6]pyrido[4,3-e][1,4]diazepin-6-one | 53065-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-ethyl-7,12-dimethyl-7,12-dihydro-3H-benzo[b]pyrazolo[4',3':5,6]pyrido[4,3-e][1,4]diazepin-6-one
• 英文别名: 3-Ethyl-7,12-dimethylpyrazolo[4',3':5,6]pyrido[4,3-b]-[1,5]benzodiazepin-6(3H)-one；3-Ethyl-7,12-dihydro-7,12-dimethylpyrazolo-[4',3':5,6]pyrido[4,3-b]-[1,5]benzodiazepin-6-(3H)-one；15-Ethyl-2,9-dimethyl-2,9,13,15,16-pentazatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3,5,7,11,13,16-heptaen-10-one
• CAS: 53065-16-0
• 化学式: C₁₇H₁₇N₅O
• 分子量: 307.355
• InChiKey: NQZRKMUQNDVQOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Pharmaceutical Formulations comprising 1-substituted imidazoles, 1-substituted imidazoles and 1-substituted imidazoles for use in the treatment or prophylaxis of thrombo-embolic disorders
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0000951A1

  公开（公告）日：1979-03-07

  The invention relates to the use in medicine of 1-alkylimidazoles of formula in which A is a straight or branched, saturated or unsaturated acyclic hydrocarbon radical of from 1 to 3 carbon atoms; n is 0 or 1; and R is a cycloalkyl or cycloalkenyl radical of from 4 to 9 carbon atoms and optionally substituted by one, two, three or more alkyl radicals each containing from 1 to 4 carbon atoms, or, when n is 1, A and R together form an alkyl radical of from 4 to 7 carbon atoms or an alkenyl or alkynyl radical of from 4 to 9 carbon atoms, the imidazole being the free base or a pharmaceutically acceptable salt thereof. The 1-alkylimidazoles in which n is 0 and R ist cycloalkyl or cycloalkenyl are novel, as are those when A and R together form an alkenyl radical. Methods of preparing the 1-alkylimidazoles are disclosed. The 1-alkylimidazoles have pharmacological properties of use in medicine, in particular for the treatment or prophylaxis of thrombo-embolic disorders.

  本发明涉及式 1-烷基咪唑的医药用途。 其中 A 是 1 至 3 个碳原子的直链或支链、饱和或不饱和的无环烃基；n 是 0 或 1；和 R 是 4 至 9 个碳原子的环烷基或环烯烃基，并可选择被一个、两个、三个或多个烷基取代，每个烷基含有 1 至 4 个碳原子，或者，当 n 为 1 时，A 和 R 共同形成 4 至 7 个碳原子的烷基或 4 至 9 个碳原子的烯基或炔基，咪唑为游离基或其药学上可接受的盐。 n为0、R为环烷基或环烷烯基时的1-烷基咪唑是新颖的，A和R共同形成烯基时的1-烷基咪唑也是新颖的。 本发明公开了制备 1-烷基咪唑的方法。 1-烷基咪唑具有药理特性，可用于医药，特别是用于治疗或预防血栓栓塞性疾病。
• Pharmaceutical combinations including hydantoin derivatives, pharmaceutical formulations containing the combinations and methods of making the formulations
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0011828A1

  公开（公告）日：1980-06-11

  Combinations of an active compound selected from the class outstanding of hydantoin and thiohydantoin derivatives and their salts together with a phosphodiesterase inhibitor. Such combinations have pharmacological effects related to those of the active compound alone but these effects (other than vasodilatory effects) are potentiated by the phosphodiesterase inhibitor whilst the vasodilatory effect is not so potentiated. The combination may be used in medicine either along or in a formulation, for example in the treatment of thrombosis.

  选自海因和硫代海因衍生物及其盐类的活性化合物与磷酸二酯酶抑制剂的复方制剂。这种复方制剂的药理作用与单独使用活性化合物的药理作用相同，但磷酸二酯酶抑制剂可增强这些作用（除血管扩张作用外），而血管扩张作用则不受影响。这种复方制剂可单独或以制剂的形式用于医药领域，例如用于治疗血栓形成。
• Optically active hydantoin derivatives, their synthesis, pharmaceutical formulations containing them, and intermediates
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0019223A1

  公开（公告）日：1980-11-26

  Compounds of formula (I) having only two optically active centres, may exist as four isomers, each of which may be prepared by resolving a racemic amino-diester intermediate in the preparation thereof. The racemic amino-diester is selectively hydrolysed to the corresponding mono-ester which is acylated and subsequently selectively deacylated to produce the resolved mono-ester. Isomers of compounds of formula (I) having a particular configuration are biologically more active than the corresponding isomers having other configurations and are useful in medicine, either as the raw compound or in a pharmaceutical formulation, for example in inhibiting platelet aggregation.

  式 (I) 化合物 只有两个光学活性中心，可以存在四种异构体，每种异构体都可以通过分解制备过程中的外消旋氨基二酯中间体来制备。外消旋氨基二酯被选择性水解为相应的单酯，单酯被酰化，随后选择性脱酰化，生成已解析的单酯。 具有特定构型的式 (I) 化合物异构体比具有其他构型的相应异构体具有更高的生物活性，可作为原料化合物或药物制剂用于医药领域，例如抑制血小板聚集。
• Imidazole derivatives and salts thereof and their synthesis
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0000950B1

  公开（公告）日：1984-02-01
• Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0003732B1

  公开（公告）日：1983-10-19