[7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-thienyl-methanone | 850786-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-thienyl-methanone
• 英文别名: [7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
• CAS: 850786-63-9
• 化学式: C₁₇H₁₀N₄O₃S
• 分子量: 350.357
• InChiKey: XKKRQIXJAQFBEW-UHFFFAOYSA-N

物化性质

• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-thienyl-methanone 在 铁粉 、 氯化铵 作用下， 以 甲醇 、 水 为溶剂， 以74%的产率得到[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-thien-2-yl-methanone
  参考文献：
  名称：

  Substituted pyrazolo[1,5-a] pyrimidines and process for making same

  摘要：

  这项发明涉及新型吡唑并[1,5-a]嘧啶化合物及其治疗上可接受的盐。这些化合物在哺乳动物，包括人类中作为抗增殖剂是有用的。

  公开号：

  US20060063785A1
• 作为产物：
  描述：

  α-[(dimethylamino)methylene]-β-oxo-2-thiophenepropanenitrile 在 一水合肼 、 溶剂黄146 作用下， 生成 [7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-thienyl-methanone
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel anti-proliferative agents: parallel synthesis for lead optimization of amide region

  摘要：

  A novel series of p21 chemoselective agents containing a pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides were identified by high throughput screening. Optimization of the amide region by parallel synthesis and the iterative design toward understanding structure-activity relationship to improve potency are described. The isopropyl carbamate derivative 34 was identified as a highly chemoselective agent displaying a potency of 51 nM in the p21 deficient cell line. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.066

文献信息

• Method of using substituted pyrazolo [1,5-a] pyrimidines
  申请人：Wang Daniel Yanong

  公开号：US20060063784A1

  公开（公告）日：2006-03-23

  This invention relates to novel methods of use of certain pyrazolo[1,5-a]pyrimidine compounds and the therapeutically acceptable salts thereof. This invention also relates to novel methods of using these compounds as anti-proliferative agents in mammals, including humans.

  这项发明涉及某些吡唑并[1,5-a]嘧啶化合物及其治疗上可接受的盐的新用途方法。该发明还涉及将这些化合物作为抗增殖剂在哺乳动物，包括人类中的新用途方法。
• Substituted pyrazolo[1,5-a] pyrimidines and process for making same
  申请人：Wang Daniel Yanong

  公开号：US20060063785A1

  公开（公告）日：2006-03-23

  This invention relates to novel pyrazolo[1,5-a]pyrimidine compounds and the therapeutically acceptable salts thereof. These compounds are useful as anti-proliferative agents in mammals, including humans.

  这项发明涉及新型吡唑并[1,5-a]嘧啶化合物及其治疗上可接受的盐。这些化合物在哺乳动物，包括人类中作为抗增殖剂是有用的。
• [EN] METHOD OF USING SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES<br/>[FR] METHODE D'UTILISATION DE PYRAZOLO [1,5-A] PYRIMIDINES SUBSTITUEES
  申请人：WYETH CORP

  公开号：WO2006033795A2

  公开（公告）日：2006-03-30

  This invention relates to novel methods of use of certain pyrazolo[1,5-a]pyrimidine compounds and the therapeutically acceptable salts thereof. This invention also relates to novel methods of using these compounds as antiproliferative agents in mammals, including humans.
• [EN] SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME<br/>[FR] PYRAZOLO [1,5-A] PYRIMIDINES SUBSTITUEES ET LEUR PROCEDE DE FABRICATION
  申请人：WYETH CORP

  公开号：WO2006033796A1

  公开（公告）日：2006-03-30

  This invention relates to novel pyrazolo[1,5-a]pyrimidine compounds and the therapeutically acceptable salts thereof. These compounds are useful as anti­proliferative agents in mammals, including humans.
• Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel anti-proliferative agents: parallel synthesis for lead optimization of amide region
  作者：Ariamala Gopalsamy、Hui Yang、John W. Ellingboe、Hwei-Ru Tsou、Nan Zhang、Erick Honores、Dennis Powell、Miriam Miranda、John P. McGinnis、Sridhar K. Rabindran

  DOI：10.1016/j.bmcl.2005.01.066

  日期：2005.3

  A novel series of p21 chemoselective agents containing a pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides were identified by high throughput screening. Optimization of the amide region by parallel synthesis and the iterative design toward understanding structure-activity relationship to improve potency are described. The isopropyl carbamate derivative 34 was identified as a highly chemoselective agent displaying a potency of 51 nM in the p21 deficient cell line. © 2005 Elsevier Ltd. All rights reserved.