2-[2-Hydroxyethyl-[9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-[2-Hydroxyethyl-[9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
• 化学式: C₂₀H₂₅F₃N₆O₂
• 分子量: 438.4
• InChiKey: OSGWLJGLQVVRRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  99.3
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha
  申请人：Lum T. Robert

  公开号：US20050080261A1

  公开（公告）日：2005-04-14

  Compounds of the following formula are provided: In the Formula (I), R 1 is —X—R 1 ′; in which R 1 ′ is optionally substituted lower alkyl, optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted heterocyclyl, and X is —NH—. R 2 is lower alkyl optionally substituted with one, two or three groups chosen from hydroxy, lower alkoxy, and halogen. And R 3 is —NR 4 R 5 ; in which R 4 is hydrogen and R 5 is lower alkyl substituted with amino; or (ii) R 4 and R 5 are both lower alkyl optionally substituted with one, two or three groups chosen from hydroxy and amino. It is to be understood that R 1 ′ is not cyclohexylmethyl, phenyl, substituted phenyl, benzyl, phenylethyl, or m-hydroxybenzyl. The compounds inhibit CDK-2 activity and are useful for treating disorders characterized by undesirable cell proliferation.

  提供以下公式的化合物：在公式（I）中，R1为—X—R1′；其中R1′为可选择取代的低烷基、可选择取代的芳基、可选择取代的杂芳基或可选择取代的杂环烷基，X为—NH—。R2为低烷基，可选择取代一个、两个或三个羟基、低烷氧基或卤素基。R3为—NR4R5；其中R4为氢，R5为取代氨基的低烷基；或（ii）R4和R5均为低烷基，可选择取代一个、两个或三个羟基和氨基。应理解R1′不是环己基甲基、苯基、取代苯基、苄基、苯乙基或间羟基苄基。这些化合物能够抑制CDK-2活性，并用于治疗具有不良细胞增殖特征的疾病。
• Purine inhibitors of cyclin dependent kinase 2 & IkBa
  申请人：——

  公开号：US20020035252A1

  公开（公告）日：2002-03-21

  A 2,6,9-trisubstituted purine composition that is useful for inhibiting cell proliferative disorders and as an antifungal agent.

  一种2,6,9-三取代嘌呤组合物，可用于抑制细胞增殖性疾病和作为抗真菌剂。
• PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a)
  申请人：CV THERAPEUTICS, INC.

  公开号：EP1150982A1

  公开（公告）日：2001-11-07
• US7109330B2
  申请人：——

  公开号：US7109330B2

  公开（公告）日：2006-09-19
• [EN] PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I kappa -A alpha<br/>[FR] INHIBITEURS PURIQUES DES KINASES 2 ET I kappa B- alpha DEPENDANTES DES CYCLINES
  申请人：CV THERAPEUTICS INC

  公开号：WO2000044750A1

  公开（公告）日：2000-08-03

  A 2,6,9-trisubstituted purine composition that is useful for inhibiting cell proliferative disorders and as an antifungal agent.