1-(2-chloro-4-isopropylamino-pyrimidin-5-yl)-ethanone | 1204400-54-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-chloro-4-isopropylamino-pyrimidin-5-yl)-ethanone
• 英文别名: 1-(2-Chloro-4-isopropylaminopyrimidin-5-yl)-ethanone；1-[2-chloro-4-(propan-2-ylamino)pyrimidin-5-yl]ethanone
• CAS: 1204400-54-3
• 化学式: C₉H₁₂ClN₃O
• 分子量: 213.667
• InChiKey: OHQHSADZXZDOEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  389.5±27.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-chloro-4-isopropylamino-pyrimidin-5-yl)-ethanone 、 乙酸乙酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.42h， 以71%的产率得到2-chloro-8-isopropyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one
  参考文献：
  名称：

  Pyridin-2-one Synthesis Using Ester Enolates and Aryl Aminoaldehydes and Ketones

  摘要：

  An aldol-like cyclocondensation has been used to prepare heterocyclic-fused pyridin-2-ones from aminoaldehydes and ketones upon treatment with a lithium enolate of ethyl acetate or alpha-substituted acetates. These motifs are present in a large number of biologically active natural products and synthetic compounds and can be accessed using mild reaction conditions using readily available starting materials. This methodology allows access to pyrimidinopyridin-2-ones, pyrazolopyridin-2-ones, and pyridopyridazine diones with varying substitution patterns.

  DOI：

  10.1021/jo500284n
• 作为产物：
  描述：

  1-(2,4-二氯嘧啶-5-基)乙酮 、 异丙胺 在 碳酸氢钠 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 2.0h， 生成 1-(2-chloro-4-isopropylamino-pyrimidin-5-yl)-ethanone
  参考文献：
  名称：

  [EN] PYRIDONS AS PDK1 INHIBITORS
  [FR] NOUVEAUX COMPOSÉS CHIMIQUES

  摘要：

  公开号：

  WO2010007116A3

文献信息

• PYRIDONS AS PDK1 INHIBITORS
  申请人：Engelhardt Harald

  公开号：US20110269958A1

  公开（公告）日：2011-11-03

  The present invention encompasses compounds of general formula (1) while the groups R 4 to R 7 and the units W, L, Q a and Q H are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

  本发明涵盖了一般式（1）的化合物，其中R4到R7和单位W、L、Qa和QH的定义如权利要求1所述，适用于治疗由过度或异常细胞增殖特征的疾病，并且它们作为具有上述特性的药物的用途。
• HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS
  申请人：Engelhardt Harald

  公开号：US20110313156A1

  公开（公告）日：2011-12-22

  The present invention encompasses compounds of general formula (1) wherein the units W, A, L, Q a and Q H are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

  本发明涵盖了一般式（1）中的化合物，其中W，A，L，Qa和QH的定义如权利要求书中所述，适用于治疗由过度或异常细胞增殖所特征化的疾病，并且它们作为具有上述特性的药物的用途。
• Pyridons as PDK1 inhibitors
  申请人：Engelhardt Harald

  公开号：US08637549B2

  公开（公告）日：2014-01-28

  The present invention encompasses compounds of general formula (1) while the groups R4 to R7 and the units W, L, Qa and QH are defined as in claim 1, which are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

  本发明涵盖了一般式（1）的化合物，其中基团R4至R7和单位W、L、Qa和QH的定义如权利要求书1所述，适用于治疗由过度或异常细胞增殖表征的疾病，并且它们的用途作为具有上述特性的药物。
• [EN] HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS CHIMIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010007114A3

  公开（公告）日：2010-03-11
• HETOEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2323986A2

  公开（公告）日：2011-05-25