N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine
• 英文别名: N-cyclopropyl-4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]pyrimidin-2-amine
• 化学式: C₂₅H₃₀Cl₂N₆
• 分子量: 485.4
• InChiKey: XCTKFTOEAKJMII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND
  申请人：Ohi Norihito

  公开号：US20090054397A1

  公开（公告）日：2009-02-26

  The present invention provides a novel compound having an excellent JNK inhibitory effect. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. Wherein R 1 designates —(CO) h —(NR a ) j —(CR b ═CR c ) k —Ar (wherein R a , R b and R c each independently designate a hydrogen atom, a halogen atom, hydroxyl group, an optionally substituted C 1-6 alkyl group or the like; Cy designates a 5- or 6-membered heteroaryl; and V each independently designate the formula -L-X—Y (wherein L designates a single bond, an optionally substituted C 1-6 alkylene group or the like; X designates a single bond or the formula -A- (wherein A designates NR 2 , O, CO, S, SO or SO 2 ) and so on; and Y designates a hydrogen atom, a halogen atom, nitro group or the like).

  本发明提供了一种具有出色JNK抑制作用的新化合物。即提供了由以下公式表示的化合物，其盐或水合物。其中，R1代表—(CO)h—(NRa)j—(CRb═CRc)k—Ar（其中，Ra，Rb和Rc各自独立地代表氢原子，卤素原子，羟基，可选取代的C1-6烷基或类似物；Cy代表5或6成员的杂环芳基；V各自独立地代表公式-L-X-Y（其中，L代表单键，可选取代的C1-6亚烷基或类似物；X代表单键或公式-A-（其中，A代表NR2，O，CO，S，SO或SO2）等；Y代表氢原子，卤素原子，硝基或类似物）。
• Advanced drug development and manufacturing
  申请人：ICAGEN, LLC

  公开号：US10877035B2

  公开（公告）日：2020-12-29

  X-ray fluorescence (XRF) spectrometry has been used for detecting binding events and measuring binding selectivities between chemicals and receptors. XRF may also be used for estimating the therapeutic index of a chemical. For estimating the binding selectivities of a chemical versus chemical analogs, for measuring post translational modification of proteins, and for drug manufacturing.

  X 射线荧光 (XRF) 光谱法已被用于检测化学物质与受体之间的结合事件和测量结合选择性。XRF 还可用于估算化学品的治疗指数。XRF 还可用于估算化学品的治疗指数、估算化学品与化学类似物的结合选择性、测量蛋白质的翻译后修饰以及药物生产。
• Use of (di-substituted-phenyl)-pyrimidinyl-imidazole derivatives as JNK-inhibitors
  申请人：——

  公开号：US20020032183A1

  公开（公告）日：2002-03-14

  A method of promoting neuronal survival and helping prevent neuronal death administers (di-substituted-phenyl) pyrimidinyl imidazole derivative compounds represented by 1 effective to inhibit the activity of c-jun-N-terminal kinase.

  一种促进神经元存活并帮助防止神经元死亡的方法，其使用的（二取代苯基）嘧啶基咪唑衍生物化合物的代表为 1 有效抑制 c-jun-N 端激酶的活性。
• USE OF (DI-SUBSTITUTED-PHENYL)-PYRIMIDINYL-IMIDAZOLE DERIVATIVES AS JNK-INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1289523A1

  公开（公告）日：2003-03-12
• ADVANCED DRUG DEVELOPMENT AND MANUFACTURING
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519A2

  公开（公告）日：2009-08-05