6-propan-2-yl-N-(1-thiophen-2-ylethylideneamino)thieno[2,3-d]pyrimidin-4-amine | 439689-84-6

• 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-propan-2-yl-N-(1-thiophen-2-ylethylideneamino)thieno[2,3-d]pyrimidin-4-amine
• CAS: 439689-84-6
• 化学式: C₁₅H₁₆N₄S₂
• 分子量: 316.451
• InChiKey: ZEUMKOIHVKNQCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-propan-2-yl-N-(1-thiophen-2-ylethylideneamino)thieno[2,3-d]pyrimidin-4-amine 、 甲酸乙酯 在 正丁基锂 、 盐酸 作用下， 以 水 为溶剂， 以80%的产率得到6-(1-Methylethyl)-4-[3-(2-thienyl)-1H-pyrazol-1-yl]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
• 作为产物：
  描述：

  2-乙酰基噻吩 、 4-hydrazino-6-isopropylthieno[2,3-d]pyrimidine 以 苯 为溶剂， 以34%的产率得到6-propan-2-yl-N-(1-thiophen-2-ylethylideneamino)thieno[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

文献信息

• Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation, and structure–activity relationships
  作者：Takao Horiuchi、Jun Chiba、Kouichi Uoto、Tsunehiko Soga

  DOI：10.1016/j.bmcl.2008.11.090

  日期：2009.1

  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.