11-[(4-Benzyl-1-piperazinyl)acetyl]-6-methyl-2-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one | 78438-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类
• 英文名称: 11-[(4-Benzyl-1-piperazinyl)acetyl]-6-methyl-2-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
• 英文别名: 11-[2-(4-Benzylpiperazin-1-yl)acetyl]-6-methyl-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-5-one
• CAS: 78438-39-8
• 化学式: C₃₁H₃₀N₆O₂
• 分子量: 518.618
• InChiKey: UFLXMWDROIPSJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  11-chloroacetyl-6-methyl-2-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one 、 1-苄基哌嗪 以 甲苯 为溶剂， 生成 11-[(4-Benzyl-1-piperazinyl)acetyl]-6-methyl-2-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
  参考文献：
  名称：

  Pyrimidobenzodiazepinones, their use and medicaments containing them

  摘要：

  11-酰基-2-苯基-和11-酰基-5,6-二氢嘧啶并[4,5-b][1,5]苯二氮杂环己啶-5-酮，它们的酸盐和它们的N-氧化物对温血动物的胃和肠具有保护作用，并抑制胃和肠溃疡的形成。

  公开号：

  US04311700A1

文献信息

• US4311700A
  申请人：——

  公开号：US4311700A

  公开（公告）日：1982-01-19
• [EN] BENZODIAZEPINONES,A PROCESS FOR THEIR PREPARATION,THEIR USE AND MEDICAMENTS CONTAINING THEM
  申请人：——

  公开号：WO1981000568A1

  公开（公告）日：1981-03-05

  (EN) Benzodiazepinones of the general formula I (FORMULA) wherein R denotes a hydrogen atom or a phenyl group, R1 denotes a hydrogen atom or an alkyl radical with 1 to 4 carbon atoms, R2 denotes the group -CO-CnH2nR3 or (when R is a phenyl group) a hydrogen atom, R3 denotes a halogen atom or the group -N(R4)R5, R4 denotes an alkyl radical with 1 to 4 carbon atoms or an alkenyl radical with 3 to 5 carbon atoms, R5 denotes an alkyl radical with 1 to 4 carbon atoms, which may be substituted by a dialkylamino group with 1 to4 carbon atoms in the alkyl radicals, or an alkenyl radical with 3 to 5 carbon atoms, or R4 and R5 together, and including the nitrogen atom, denote a pyrrolidino, piperidino, morpholino or perhydroazepino radical, a piperazino radical which is optionally substituted in the 4-position by a methyl, ethyl or benzyl group or a homopiperazino radical which is optionally substituted in the 4-position by a methyl group, and n represents 1 or 2, and their N-oxides and their acid addition salts with inorganic and organic acids are new compounds. They are used in the pharmaceutical industry as intermediate products and for the preparation of medicaments with protective action on the stomach and the intestines. (FR) Les benzodiazepinones de formule generale (1) (FORMULE) ou R represente un atome d"hydrogene ou un groupe phenyle, R1 represente un atome d"hydrogene ou un radical alkyle avec 1 a 4 atomes de carbone, R2 represente le groupe -Co-CnH2nR3 ou (quand R est un groupe phenyle) un atome d"hydrogene, R3 represente un atome d"halogene ou le groupe -N(R4)R5, R4 represente un radical alkyle avec 1 a 4 atomes de carbone ou un radical alcenyle avec 3 a 5 atomes de carbone, R5 represente un radical alkyle avec 1 a 4 atomes de carbone, qui peut etre substitue par un groupe dialkylamino avec 1 a 4 atomes de carbone dans les radicaux alkyle, ou un radical alcenyle avec 3 a 5 atomes de carbone, ou R4 et R5 ensemble, et comprenant l"atome d"azote, representent un radical pyrrolidino, piperidino, morpholino ou perhydroazepino, un radical piperazino qui est eventuellement substitue en position 4 par un groupe methyle, ethyle ou benzyle ou un radical homopiperazino qui est eventuellement substitue en position 4 par un groupe methyle, et n represente 1 ou 2, et leurs N-oxydes et leurs sels d"addition acide avec des acides inorganiques et organiques, sont des composes nouveaux. Ils sont utilises dans l"industrie pharmaceutique comme produits intermediaires et pour la preparation de medicaments ayant une action de protection sur l"estomac et les intestins.
• Pyrimidobenzodiazepinones, their use and medicaments containing them
  申请人：BYK Gulden Lomberg Chemische Fabrik GmbH

  公开号：US04311700A1

  公开（公告）日：1982-01-19

  11-Acyl-2-phenyl- and 11-acyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-ones, their acid-addition salts and their N-oxides provide protective action for the stomach and intestines of warm-blooded animals and inhibit the formation of gastric and intestinal ulcers.

  11-酰基-2-苯基-和11-酰基-5,6-二氢嘧啶并[4,5-b][1,5]苯二氮杂环己啶-5-酮，它们的酸盐和它们的N-氧化物对温血动物的胃和肠具有保护作用，并抑制胃和肠溃疡的形成。