4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine | 885524-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
• 英文别名: 4-chloro-1-(3,5-dimethyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidine；4-chloro-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidine
• CAS: 885524-15-2
• 化学式: C₁₃H₁₁ClN₄
• mdl: MFCD06660833
• 分子量: 258.71
• InChiKey: IFYKTCBGIXRDLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.153
• 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：

  4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine 、 3-甲基哌啶 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以84%的产率得到1-(3,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  Microwave-assisted protocols for the expedited synthesis of pyrazolo[1,5-a] and [3,4-d]pyrimidines

  摘要：

  General, high-yielding MAOS protocols for the expedited synthesis of functionalized pyrazolo[1,5-a]pyrimidines and pyrazolo[3,4-b]pyrimidines, as well as their pyrazole precursors, are described amenable to an iterative analogue library synthesis strategy for lead optimization. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.054
• 作为产物：
  描述：

  1-(3,5-Dimethyl-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidine-4-one 在 三氯氧磷 作用下， 以86.6%的产率得到4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS

  摘要：

  该发明涉及式(I)的取代吡唑并[3,4-d]嘧啶衍生物或其药学上可接受的盐，其具有抗增殖活性，如抗癌活性，并因此在人体或动物体的治疗方法中有用。该发明还涉及制备取代吡唑并[3,4-d]嘧啶衍生物的方法，含有该化合物的药物组合物，以及其在制造药物时用于在诸如人类之类的温血动物体内产生抗增殖效果的用途。

  公开号：

  US20100298351A1

文献信息

• NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS
  申请人：Konakanchi Durga Prasad

  公开号：US20100298351A1

  公开（公告）日：2010-11-25

  The invention relates to substituted pyrazolo[3,4-d]pyrimidine derivatives of the Formula-(I), or pharmaceutically-acceptable salts thereof, which possess anti-proliferative activity such as anti-cancer activity and are accordingly useful in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of substituted pyrazolo[3,4-d]pyrimidine derivatives, to pharmaceutical compositions containing the compound and to its use in the manufacture of medicaments for the production of an anti-proliferative effect in a warm-blooded animal such as man.

  该发明涉及式(I)的取代吡唑并[3,4-d]嘧啶衍生物或其药学上可接受的盐，其具有抗增殖活性，如抗癌活性，并因此在人体或动物体的治疗方法中有用。该发明还涉及制备取代吡唑并[3,4-d]嘧啶衍生物的方法，含有该化合物的药物组合物，以及其在制造药物时用于在诸如人类之类的温血动物体内产生抗增殖效果的用途。
• Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents
  申请人：——

  公开号：US08349847B2

  公开（公告）日：2013-01-08

  The invention relates to substituted pyrazolo[3,4-d]pyrimidine derivatives of the Formula-(I), or pharmaceutically-acceptable salts thereof, which possess anti-proliferative activity such as anti-cancer activity and are accordingly useful in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of substituted pyrazolo[3,4-d]pyrimidine derivatives, to pharmaceutical compositions containing the compound and to its use in the manufacture of medicaments for the production of an anti-proliferative effect in a warm-blooded animal such as man.

  本发明涉及公式（I）的取代吡唑并[3,4-d]嘧啶衍生物或其药学上可接受的盐，其具有抗增殖活性，如抗癌活性，并因此在治疗人或动物体的方法中有用。本发明还涉及制造取代吡唑并[3,4-d]嘧啶衍生物的过程，包含该化合物的制药组合物以及其在制造药物中用于产生温血动物（如人）中的抗增殖效应。
• NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS
  申请人：Natco Pharma Limited

  公开号：EP2247596A2

  公开（公告）日：2010-11-10
• US8349847B2
  申请人：——

  公开号：US8349847B2

  公开（公告）日：2013-01-08
• [EN] NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLO [3, 4 -D] PYRIMIDINE EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：NATCO PHARMA LTD

  公开号：WO2009098715A2

  公开（公告）日：2009-08-13

  The invention relates to substituted pyrazolo [3,4-d] pyrimidine derivatives of the Formula-(I), or pharmaceutically-acceptable salts thereof, which possess anti-proliferative activity such as anti-cancer activity and are accordingly useful in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of substituted pyrazolo [3,4-d] pyrimidine derivatives, to pharmaceutical compositions containing the compound and to its use in the manufacture of medicaments for the production of an anti- proliferative effect in a warm-blooded animal such as man.