(3-amino-1H-pyrazol-4-yl)-2-thiazolyl-methanone | 931114-34-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-amino-1H-pyrazol-4-yl)-2-thiazolyl-methanone
• 英文别名: (5-amino-1H-pyrazol-4-yl)-(1,3-thiazol-2-yl)methanone
• CAS: 931114-34-0；96605-55-9
• 化学式: C₇H₆N₄OS
• 分子量: 194.217
• InChiKey: NAZWZYAFKSLBAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-amino-1H-pyrazol-4-yl)-2-thiazolyl-methanone 在 吡啶 、 铁粉 、 氯化铵 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 生成 N-{3-[3-(1,3-thiazol-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}cyclopropanecarboxamide
  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：

  2-乙酰基噻唑 在 盐酸羟胺 、 一水合肼 作用下， 反应 39.0h， 生成 (3-amino-1H-pyrazol-4-yl)-2-thiazolyl-methanone
  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

• Aryl and heteroaryl[7-(aryl and
  申请人：American Cyanamid Company

  公开号：US04521422A1

  公开（公告）日：1985-06-04

  Aryl and heteroaryl[7-(aryl and heteroaryl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones which are new compounds active as anxiolytic, anticonvulsant, sedative-hypnotic and skeletal muscle relaxant agents in mammals and the novel process of making these compounds.

  芳基和杂环芳基[7-(芳基和杂环芳基)吡唑并[1,5-a]嘧啶-3-基]甲酮是新的化合物，对哺乳动物具有抗焦虑、抗抽搐、镇静催眠和骨骼肌松弛作用，并提供了制备这些化合物的新方法。
• 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。
• Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0129847A2

  公开（公告）日：1985-01-02

  Aryl and heteroaryl [7-(aryl and heteroaryl)-pyrazolo[1, 5-a[pyrimidin-3-yl]methanones which are new compounds active as anxiolytic, anticonvulsant, sedative-hypnotic and skeletal muscle relaxant agents in mammals and the novel process of making these compounds.

  芳基和杂芳基[7-(芳基和杂芳基)-吡唑并[1, 5-a]嘧啶-3-基]甲酮，这种新化合物对哺乳动物具有抗焦虑、抗惊厥、镇静催眠和骨骼肌松弛剂的活性，以及制造这些化合物的新工艺。
• US4521422A
  申请人：——

  公开号：US4521422A

  公开（公告）日：1985-06-04
• [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.