7-(N-cyclopropyl-carbamoyl)-5-(4-amino-3-methyl-phenyl)-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine | 319907-75-0

• 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: 7-(N-cyclopropyl-carbamoyl)-5-(4-amino-3-methyl-phenyl)-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine
• 英文别名: 5-(4-amino-3-methylphenyl)-N-cyclopropyl-8-methyl-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
• CAS: 319907-75-0
• 化学式: C₂₂H₂₂N₄O₃
• 分子量: 390.442
• InChiKey: AHUMROJABZTHMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  89.2
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 2,3-BENZODIAZEPINE DERIVATIVES
  申请人：Egis Gyogyszergyar Rt.

  公开号：EP1200442B8

  公开（公告）日：2003-08-20
• US7053082B1
  申请人：——

  公开号：US7053082B1

  公开（公告）日：2006-05-30
• [EN] NEW 2,3-BENZODIAZEPINE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE 2,3-BENZODIAZEPINES
  申请人：EGYT GYOGYSZERVEGYESZETI GYAR

  公开号：WO2001004122A2

  公开（公告）日：2001-01-18

  The invention relates to new 2,3-benzodiazepine derivatives of general Formula (I), (wherein R1 stands for methyl, formyl, carboxy, cyano, -CH=NOH, -CH=NNHCONH¿2? or -NR?5R6¿, wherein R?5 and R6¿ independently from each other represent hydrogen or lower alkyl or together with the nitrogen atom, they are attached to, form a 5- or 6-membered, saturated or unsaturated heterocyclic ring optionally containing one or more further nitrogen, sulfur and/or oxygen atom(s); R2 is nitro or amino; R3 stands for hydrogen, lower alkanoyl or CO-NR7R8, wherein R?7 and R8¿ independently from each other stand for hydrogen, lower alkoxy, lower alkyl or lower cycloalkyl or together with the nitrogen atom, they are attached to, form a 5- or 6-membered, saturated or unsaturated heterocyclic ring optionally containing one or more further nitrogen, sulfur and/or oxygen atom(s); R4 is hydrogen or lower alkyl; the dotted lines have the following meaning: if R?3 and R4¿ are not present, the bond between positions C?8 and C9¿ is a single bond and the bond between positions C?8 and N7¿ is a double bond; if R?3 and R4¿ are present, the bonds between positions C?8 and C9¿ and between position C?8 and N7¿ are single bonds; and if R3 is present and R4 is missing, the bond between positions C?8 and C9¿ is a double bond and the bond between positions C?8 and N7¿ is a single bond) and salts thereof. The invention compounds have neuroprotective effect.