10-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-7-ethyl-3-methoxy-9H-imidazo[1,5-a][1,2,4]triazolo[4,3-d][1,4]benzodiazepine | 428507-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 10-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-7-ethyl-3-methoxy-9H-imidazo[1,5-a][1,2,4]triazolo[4,3-d][1,4]benzodiazepine
• 英文别名: 3-Cyclopropyl-5-(9-ethyl-15-methoxy-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-1,2,4-oxadiazole
• CAS: 428507-71-5
• 化学式: C₂₀H₁₉N₇O₂
• 分子量: 389.417
• InChiKey: YCODLFQIBVMVDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  96.7
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives
  申请人：——

  公开号：US20020103371A1

  公开（公告）日：2002-08-01

  The present invention is a compound of formula 1 The compound and derivatives or pharmaceutically acceptable salts thereof of the invention have a good affinity and selectivity to the GABA A &agr;5 receptor and are useful for the treatment of diseases related to this receptor.

  本发明是一种化合物，化学式为1。该发明的化合物及其衍生物或药学上可接受的盐具有良好的亲和力和选择性，对GABA A &agr;5受体具有作用，并可用于治疗与该受体相关的疾病。
• BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1337535A2

  公开（公告）日：2003-08-27
• US6743789B2
  申请人：——

  公开号：US6743789B2

  公开（公告）日：2004-06-01
• [EN] BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS<br/>[FR] DERIVES DE BENZODIAZEPINE COMME MODULATEURS DE RECEPTEUR GABA A
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002040487A2

  公开（公告）日：2002-05-23

  The present invention relates to compounds of formula (I), wherein R1 is hydrogen, halogen, lower alkyl, lower alkoxy, hydroxy, cyano, trifluoromethyl, trifluoromethoxy or lower alkylthio; R2 is -C(O)O-lower alkyl, isoxazol, 1,2,4-oxadiazol-3-yl or 1,2,4-oxadiazol-5-yl, which rings may be substituted by lower alkyl, trifluoromethyl or cycloalkyl; R3 is hydrogen, lower alkyl, -(CH¿2?)n-cycloalkyl, -(CH2)n-halogen, -(CH2)n-pyridin-4-yl, or -(CH2)n-phenyl, wherein the phenyl ring may be substituted by one or two substituents selected from the group consisting of lower alkoxy, halogen, -SO2CH3, phenyl, OCF3, nitro, CF3, -NR2, or is -(CH2)n-indolyl, optionally substituted by lower alkyl or lower alkoxy, or is pyrrolidinyl-5-oxo, -C(O)-NR2, -(CH2)n-OH, -(CH2)n-NR2 or -(CH2)n-benzo[1,3]dioxole; R is hydrogen or lower alkyl; and n is 0, 1, 2 or 3; and to their pharmaceutically acceptable acid addition salts. These compounds have a good affinity to the GABA A α5 receptor and they are therefore useful for the treatment of diseases, related to this receptor.