2-[(2,6-dichloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile | 881011-14-9

• 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: 2-[(2,6-dichloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
• 英文别名: 2-[(2,6-Dichloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
• CAS: 881011-14-9
• 化学式: C₈H₃Cl₂N₅S
• 分子量: 272.117
• InChiKey: FQAZPDQPETWDKK-UHFFFAOYSA-N

物化性质

• 沸点：
  477.4±55.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 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：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[(2,6-dichloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile 在 palladium on activated charcoal 氢气 作用下， 以 正丁醇 为溶剂， 生成 2-[6-(4-Acetyl-piperazin-1-yl)-pyrimidin-4-ylamino]-thiazole-5-carbonitrile
  参考文献：
  名称：

  Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase

  摘要：

  Pyrimidino-thiazolyl carbonitriles were prepared that are potent VEGFR-2 (KDR) kinase inhibitors. The modification of lead structures resulted in 3m which exhibited the best overall profile in KDR inhibitory activity, iv/po pharmacokinetics, and reduced hERG affinity. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.089
• 作为产物：
  描述：

  4-氨基-2,6-二氯嘧啶 、 2-氯-5-氰基噻唑 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-[(2,6-dichloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
  参考文献：
  名称：

  Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase

  摘要：

  Pyrimidino-thiazolyl carbonitriles were prepared that are potent VEGFR-2 (KDR) kinase inhibitors. The modification of lead structures resulted in 3m which exhibited the best overall profile in KDR inhibitory activity, iv/po pharmacokinetics, and reduced hERG affinity. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.089

文献信息

• AMINO-THIAZOLYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER
  申请人：Almeida Lynsie

  公开号：US20100204231A1

  公开（公告）日：2010-08-12

  The present invention relates to compounds of Formula (I): and to their pharmaceutical compositions, and to their methods of use. These compounds provide a treatment for myeloproliferative disorders and cancer.

  本发明涉及式(I)的化合物及其制药组合物和使用方法。这些化合物提供了治疗骨髓增生性疾病和癌症的治疗方法。
• AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER
  申请人：AstraZeneca AB

  公开号：EP2152702A1

  公开（公告）日：2010-02-17
• [EN] AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS D'AMINO-THIAZOLYL-PYRIMIDINE ET LEUR UTILISATION POUR LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2008135786A1

  公开（公告）日：2008-11-13

  [EN] The present invention relates to compounds of Formula (I): and to their pharmaceutical compositions, and to their methods of use. These compounds provide a treatment for myeloproliferative disorders and cancer.
  [FR] La présente invention concerne des composés représentés par la formule (I) : et leurs compositions pharmaceutiques, et leurs procédés d'utilisation. Ces composés fournissent un traitement pour le cancer et les troubles myéloprolifératifs.