吡咯并[2,1-f][1,2,4]三嗪-4(1H)-酮,7-甲基- | 87964-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 吡咯并[2,1-f][1,2,4]三嗪-4(1H)-酮,7-甲基-
• 英文名称: 2,3-Dimethoxy-N-(9-(4-fluorobenzyl)-9-azabicyclo(3.3.1)nonan-3-yl)benzamide
• 英文别名: N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,3-dimethoxybenzamide
• CAS: 87964-79-2
• 化学式: C₂₄H₂₉FN₂O₃
• 分子量: 412.5
• InChiKey: VGOAURMKLDUSEO-UHFFFAOYSA-N

物化性质

• 沸点：
  527.2±50.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• N-azabicycloalkane benzamides, process for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0083737A1

  公开（公告）日：1983-07-20

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: wherein: p is 1 or 2; q is 0 to 2; R6 is C1-7 alkyl or a group -(CH2)sR7 where s is 0 to 2 and R7 is a C3-8 cycloalkyl group, or a group - (CH2)tR8 where t is 1 or 2 and R8 is C25 alkenyl or a phenyl group optionally substituted by one or two substituents selected from C, alkyl C1-4 alkoxy, trifluoromethyl, halogen or nitro, or a thienyl group. R12 is hydrogen, halogen, CF3, C1-7 acyl, C1-7 acylamino or amino or aminocarbonyl optionally substituted by one or two C1-6 alkyl groups, C1-6 alkyl, C1-6 alkoxy, hydroxy or nitro; R, is C1-6 alkoxy or C1-6 alkylthio; and one of R2 and RI1 is .hydrogen and the other is C1-6 alkoxy, C1-6 alkyl or hydroxyl; or R, and R2 together form methylenedioxy or ethylenedioxy; and R11 is any one of the groups given for R,2 above having dopamine antagonist activity, a process for their preparation and their use.

  式(I)化合物及其药学上可接受的盐类： 其中 p 是 1 或 2 q 是 0 至 2 R6 是 C1-7 烷基或基团-(CH2)sR7，其中 s 是 0 至 2，R7 是 C3-8 环烷基，或基团-( )tR8，其中 t 是 1 或 2，R8 是 C25 烯基或苯基，可任选被一个或两个选自 C、烷基 C1-4 烷氧基、三氟甲基、卤素或硝基或噻吩基的取代基取代。 R12 是氢、卤素、CF3、C1-7 乙酰基、C1-7 乙酰氨基或可选被一个或两个 C1-6 烷基、C1-6 烷基、C1-6 烷氧基、羟基或硝基取代的氨基或氨基羰基； R，是 C1-6 烷氧基或 C1-6 烷硫基；R2 和 RI1 中的一个是氢，另一个是 C1-6 烷氧基、C1-6 烷基或羟基； 或 R 和 R2 共同形成亚甲基二氧基或亚乙基二氧基；以及 R11 是上述 R,2 所给出的具有多巴胺拮抗剂活性的基团、其制备方法和用途中的任一种。
• Compositions and methods for treatment of viral diseases
  申请人：Johansen Lisa M.

  公开号：US20080161324A1

  公开（公告）日：2008-07-03

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E). Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.
• [EN] COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DE MALADIES VIRALES
  申请人：COMBINATORX SINGAPORE PRE LTD

  公开号：WO2008033466A2

  公开（公告）日：2008-03-20

  [EN] The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E). Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.
  [FR] La présente invention concerne des compositions, procédés et kits utiles dans le traitement de maladies virales. Dans certains modes de réalisation, la maladie virale est causée par un virus à ARN simple brin, un virus Flaviviridae, ou un virus hépatique. Dans des modes de réalisation particuliers, la maladie virale est l'hépatite virale (par exemple, hépatite A, hépatite B, hépatite C, hépatite D, hépatite E). La présente invention concerne également des procédés de criblage en vue de l'identification de nouveaux composés qui peuvent être utilisés pour traiter une maladie virale.