[4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-diethyl-amine | 1163707-01-4

• 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-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-diethyl-amine
• 英文别名: 5-(2-(Diethylamino)pyrimidin-4-yl)-4-methylthiazol-2-amine；5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
• CAS: 1163707-01-4
• 化学式: C₁₂H₁₇N₅S
• 分子量: 263.366
• InChiKey: XYVUMOKPYZVEFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-diethyl-amine 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 (S)-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-{[5-(2-diethylamino-pyrimidin-4-yl)-4-rnethyl-thiazol-2-yl]-amide}
  参考文献：
  名称：

  Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation

  摘要：

  Phosphatidylinositol-3-kinase alpha (PI3K alpha) is a therapeutic target of high interest in anticancer drug research. On the basis of a binding model rationalizing the high selectivity and potency of a particular series of 2-aminothiazole compounds in inhibiting PI3K alpha, a medicinal chemistry program has led to the discovery of the clinical candidate NVP-BYL719. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.007
• 作为产物：
  描述：

  5-乙酰基-2-氨基-4-甲基噻唑 在 sodium hydroxide 作用下， 以 乙二醇甲醚 为溶剂， 反应 16.0h， 生成 [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-diethyl-amine
  参考文献：
  名称：

  Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation

  摘要：

  Phosphatidylinositol-3-kinase alpha (PI3K alpha) is a therapeutic target of high interest in anticancer drug research. On the basis of a binding model rationalizing the high selectivity and potency of a particular series of 2-aminothiazole compounds in inhibiting PI3K alpha, a medicinal chemistry program has led to the discovery of the clinical candidate NVP-BYL719. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.007

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2010029082A1

  公开（公告）日：2010-03-18

  The present invention relates to a compound of formula (I) (I) or a salt thereof, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及一种式（I）（I）的化合物或其盐，其中取代基如描述中所定义，以及所述化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的应用。
• Organic Compounds
  申请人：Caravatti Giorgio

  公开号：US20090163469A1

  公开（公告）日：2009-06-25

  The present invention relates to compounds of formula I and its salts, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I的化合物及其盐，其中取代基如描述中所定义，以及该化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的应用。
• PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES
  申请人：FAIRHURST Robin Alec

  公开号：US20120263712A1

  公开（公告）日：2012-10-18

  The present invention relates to a compound of formula (I) or a salt thereof, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式（I）的化合物或其盐，其中取代基如描述中所定义，以及该化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的组合物和用途。
• Pyrrolidine-1,2-dicarboxamide derivatives
  申请人：Novartis AG

  公开号：US08227462B2

  公开（公告）日：2012-07-24

  The present invention relates to a compound of formula (I) or a salt thereof, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及式（I）的化合物或其盐，其中取代基如描述中所定义，以及该化合物在通过抑制磷脂酰肌醇3-激酶改善的疾病治疗中的组合物和用途。
• Organic compounds
  申请人：Caravatti Giorgio

  公开号：US08940771B2

  公开（公告）日：2015-01-27

  The present invention relates to compounds of formula I and its salts, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I的化合物及其盐，其中取代基如描述中所定义，以及该化合物在通过抑制磷脂酰肌醇3-激酶改善疾病的治疗中的组合物和用途。