4-Chloro-1-((Z)-styryl)-1H-pyrazolo[3,4-d]pyrimidine | 679805-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 4-Chloro-1-((Z)-styryl)-1H-pyrazolo[3,4-d]pyrimidine
• 英文别名: 4-Chloro-1-(2-phenylvinyl)-1H-pyrazolo[3,4-d]pyrimidine；4-chloro-1-(2-phenylethenyl)pyrazolo[3,4-d]pyrimidine
• CAS: 679805-58-4
• 化学式: C₁₃H₉ClN₄
• 分子量: 256.694
• InChiKey: MRVFAXBPYHLGCG-UHFFFAOYSA-N

物化性质

• 熔点：
  139-140 °C
• 沸点：
  351.7±42.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  哌啶 、 4-Chloro-1-((Z)-styryl)-1H-pyrazolo[3,4-d]pyrimidine 以60%的产率得到4-Piperidin-1-yl-1-((Z)-styryl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation

  摘要：

  New 4-aminopyrazolo[3,4-d]pyrimidines bearing various substituents at the position I and 6, were synthesized. The new compounds showed antiproliferative activity toward A431 cells, were found to be inhibitors of Src phosphorylation, and induced apoptotic cell death. In particular, 2h was a better inhibitor of Src phosphorylation than the reference compound PP2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.013
• 作为产物：
  描述：

  1-(2-羟基-2-苯基乙基)-1,5-二氢-4H-吡唑并[3,4-d]嘧啶-4-酮 在 三氯氧磷 作用下， 生成 4-Chloro-1-((Z)-styryl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation

  摘要：

  New 4-aminopyrazolo[3,4-d]pyrimidines bearing various substituents at the position I and 6, were synthesized. The new compounds showed antiproliferative activity toward A431 cells, were found to be inhibitors of Src phosphorylation, and induced apoptotic cell death. In particular, 2h was a better inhibitor of Src phosphorylation than the reference compound PP2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.013

文献信息

• 4-Substituted derivatives of pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine and uses thereof
  申请人：Bondavalli Francesco

  公开号：US20070010510A1

  公开（公告）日：2007-01-11

  4-Substituted derivatives of pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine are described. Compounds are active as antitumoural agents.

  本文描述了嘧唑并[3,4-d]嘧啶和吡咯并[2,3-d]嘧啶的4-取代衍生物。这些化合物作为抗肿瘤剂具有活性。
• Substituted pyrazolo[3,4-D]pyrimidines as anti-tumor agents
  申请人：Universita degli Studi di Siena

  公开号：US07589086B2

  公开（公告）日：2009-09-15

  The present invention provides a compound of pyrazolo[3,4-d]pyrimidine having the formula wherein: X=N; R=H, alkylthio, or aminoalkylthio; R1=NHcyclopropyl, NHC3H7, NHC4H9, N(CH2CH3)2, NHCH2CH2OC2H5, 1-pyrrolidinyl, 1-piperidinyl, 4-morpholinyl, NHcyclohexyl, 1-hexahydroazepinyl, NHCH2C6H5, or NHCH2CH2C6H5; wherein R3=H, halogen, or alkyl and R5=Cl, Br or OH.

  本发明提供一种具有以下式的吡唑并[3,4-d]嘧啶化合物：其中： X = N; R = H，烷基硫或氨基烷基硫; R1 = NH环丙基，NHC3H7，NHC4H9，N（CH2CH3）2，NHCH2CH2OC2H5，1-吡咯烷基，1-哌啶基，4-吗啉基，NH环己基，1-六氢噁啉基，NHCH2C6H5或NHCH2CH2C6H5; 其中R3 = H，卤素或烷基，R5 = Cl，Br或OH。