6-(1,1-Dimethylethyl)-4-(1-methylhydrazinyl)thieno[2,3-d]pyrimidine | 439692-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 6-(1,1-Dimethylethyl)-4-(1-methylhydrazinyl)thieno[2,3-d]pyrimidine
• 英文别名: 1-(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)-1-methylhydrazine
• CAS: 439692-96-3
• 化学式: C₁₁H₁₆N₄S
• 分子量: 236.341
• InChiKey: FDZFJAPZWIUSTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  83.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(1,1-Dimethylethyl)-4-(1-methylhydrazinyl)thieno[2,3-d]pyrimidine 、 6-[(dimethylamino)methyl]-pyridine-2-carbaldehyde 以 乙醇 为溶剂， 以73%的产率得到6-tert-butyl-N-[[6-[(dimethylamino)methyl]pyridin-2-yl]methylideneamino]-N-methylthieno[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation, and structure–activity relationships

  摘要：

  The synthesis and evaluation of new analogues of thieno[2,3-d]pyrimidin-4-yl hydrazones are described. 2-Pyrdinecarboxaldehyde [6-(tert-butyl)thieno[2,3-d]pyrimidine-4-yl]hydrazone derivatives have been identified as cyclin-dependent kinase 4 (CDK4) inhibitors. The potency, selectivity pro. le, and structure-activity relationship of this series of compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.090
• 作为产物：
  描述：

  6-(叔丁基)-4-氯噻吩并[2,3-d]嘧啶 、 甲基肼 以 乙醇 为溶剂， 以79%的产率得到6-(1,1-Dimethylethyl)-4-(1-methylhydrazinyl)thieno[2,3-d]pyrimidine
  参考文献：
  名称：

  Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation, and structure–activity relationships

  摘要：

  The synthesis and evaluation of new analogues of thieno[2,3-d]pyrimidin-4-yl hydrazones are described. 2-Pyrdinecarboxaldehyde [6-(tert-butyl)thieno[2,3-d]pyrimidine-4-yl]hydrazone derivatives have been identified as cyclin-dependent kinase 4 (CDK4) inhibitors. The potency, selectivity pro. le, and structure-activity relationship of this series of compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.090