[7-(3-Aminophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone | 880363-43-9

• 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-Aminophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
• 英文别名: [7-(3-aminophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
• CAS: 880363-43-9
• 化学式: C₁₈H₁₄N₄OS
• 分子量: 334.401
• InChiKey: YLTJXUUGKNTWSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [7-(3-Aminophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone 、 氯甲酸异丙酯 在 吡啶 作用下， 生成 isopropyl 3-[2-methyl-3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenylcarbamate
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel antiproliferative agents: Exploration of core and headpiece structure–activity relationships

  摘要：

  A novel series of antiproliferative agents containing pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides, selective for p21-deficient cells, were identified by high-throughput screening. Exploration of the SAR relationships in the headpiece, core, and tailpiece is described. Strict steric, positional, and electronic requirements were observed, with a clear preference for both core nitrogens, a thienoyl headpiece, and meta substituted tailpiece. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.116
• 作为产物：
  描述：

  间硝基苯乙酮 在 铁粉 、 氯化铵 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 18.0h， 生成 [7-(3-Aminophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel antiproliferative agents: Exploration of core and headpiece structure–activity relationships

  摘要：

  A novel series of antiproliferative agents containing pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides, selective for p21-deficient cells, were identified by high-throughput screening. Exploration of the SAR relationships in the headpiece, core, and tailpiece is described. Strict steric, positional, and electronic requirements were observed, with a clear preference for both core nitrogens, a thienoyl headpiece, and meta substituted tailpiece. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.116

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。
• [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.
• Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel antiproliferative agents: Exploration of core and headpiece structure–activity relationships
  作者：Dennis Powell、Ariamala Gopalsamy、Yanong D. Wang、Nan Zhang、Miriam Miranda、John P. McGinnis、Sridhar K. Rabindran

  DOI：10.1016/j.bmcl.2006.12.116

  日期：2007.3

  A novel series of antiproliferative agents containing pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides, selective for p21-deficient cells, were identified by high-throughput screening. Exploration of the SAR relationships in the headpiece, core, and tailpiece is described. Strict steric, positional, and electronic requirements were observed, with a clear preference for both core nitrogens, a thienoyl headpiece, and meta substituted tailpiece. (c) 2007 Elsevier Ltd. All rights reserved.