3-Ethyl-7,12-dihydro-9-methoxy-7,12-dimethyl-pyrazolo[3',4':2,3]pyrido[4,5-b][1,5]benzodiazepin-6(3H)-one | 64845-44-9

• 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-dihydro-9-methoxy-7,12-dimethyl-pyrazolo[3',4':2,3]pyrido[4,5-b][1,5]benzodiazepin-6(3H)-one
• 英文别名: 15-Ethyl-6-methoxy-2,9-dimethyl-2,9,13,15,16-pentazatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13,16-heptaen-10-one
• CAS: 64845-44-9
• 化学式: C₁₈H₁₉N₅O₂
• 分子量: 337.381
• InChiKey: GCRIOWNFZGHAGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  63.5
• 氢给体数：
  0
• 氢受体数：
  5

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。
• 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
• US4051236A
  申请人：——

  公开号：US4051236A

  公开（公告）日：1977-09-27
• US4317830A
  申请人：——

  公开号：US4317830A

  公开（公告）日：1982-03-02
• US4337254A
  申请人：——

  公开号：US4337254A

  公开（公告）日：1982-06-29