5-chloro-2-[4-(3-[1,2,4]triazol-4-yl-benzylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-benzonitrile | 1073428-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-chloro-2-[4-(3-[1,2,4]triazol-4-yl-benzylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-benzonitrile
• 英文别名: 5-chloro-2-[4-[[3-(1,2,4-triazol-4-yl)phenyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile
• CAS: 1073428-87-1
• 化学式: C₂₃H₁₉ClN₈
• 分子量: 442.91
• InChiKey: WCJJIANNMBQADZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (3-(4H-1,2,4-triazol-4-yl)phenyl)methanamine 、 5-chloro-2-(4-chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 2.5h， 生成 5-chloro-2-[4-(3-[1,2,4]triazol-4-yl-benzylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-benzonitrile
  参考文献：
  名称：

  2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof

  摘要：

  根据公式1提供了融合的杂环化合物：其中R1、R2、R3和m的定义如本文所述。提供的化合物及其药物组合物对于预防和治疗包括人类在内的哺乳动物的多种疾病状况是有用的，包括但不限于疼痛、炎症、认知障碍、焦虑、抑郁等。

  公开号：

  US20080275037A1

文献信息

• 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF
  申请人：WEI Zhi-Liang

  公开号：US20120149700A1

  公开（公告）日：2012-06-14

  Fused heterocyclic compounds are provided according to formula 1: where R 1 , R 2 , R 3 , and m are as defined herein. Provided compounds and pharmaceutical compositions thereof are useful for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, cognitive disorders, anxiety, depression, and others.

  提供了按照公式1定义的熔合杂环化合物：其中R1、R2、R3和m如本文所定义。所提供的化合物及其制剂对于哺乳动物，包括人类的多种病症的预防和治疗有用，包括但不限于疼痛、炎症、认知障碍、焦虑、抑郁等。
• 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof
  申请人：Evotec AG

  公开号：US08076345B2

  公开（公告）日：2011-12-13

  Fused heterocyclic compounds are provided according to formula 1: where R1, R2, R3, and m are as defined herein. Provided compounds and pharmaceutical compositions thereof are useful for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, cognitive disorders, anxiety, depression, and others.

  提供了按照公式1定义的融合杂环化合物，其中R1、R2、R3和m如本文所定义。所提供的化合物及其制剂在哺乳动物中，包括人类中，用于预防和治疗多种疾病，例如但不限于疼痛、炎症、认知障碍、焦虑、抑郁等。
• 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF
  申请人：Renovis, Inc.

  公开号：EP2139334A1

  公开（公告）日：2010-01-06
• Method for producing biogas in controlled concentrations of trace elements
  申请人：Oechsner Hans-Werner

  公开号：US20100304457A1

  公开（公告）日：2010-12-02

  A method for producing biogas from biomass in a biogas reactor, wherein at least one standard value is provided for the concentration of at least one trace element in a biogas reactor for efficient biogas production, biogas is produced from biomass in the biogas reactor, the concentration of at least one trace element in the biomass is determined in the biogas reactor, and in the event that the determined trace element concentration falls below the standard value, deficient trace elements are added to the biogas reactor.
• US8076345B2
  申请人：——

  公开号：US8076345B2

  公开（公告）日：2011-12-13