(E)-3-(dimethylamino)-1-(pyrimidin-5-yl)prop-2-en-1-one | 1232062-67-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-3-(dimethylamino)-1-(pyrimidin-5-yl)prop-2-en-1-one
• 英文别名: 3-(Dimethylamino)-1-(pyrimidin-5-yl)prop-2-en-1-one；(E)-3-(dimethylamino)-1-pyrimidin-5-ylprop-2-en-1-one
• CAS: 1232062-67-7
• 化学式: C₉H₁₁N₃O
• 分子量: 177.206
• InChiKey: GNNGOBBGXHJRBH-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-3-(dimethylamino)-1-(pyrimidin-5-yl)prop-2-en-1-one 在 N-溴代丁二酰亚胺(NBS) 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 5-(4-bromo-1H-pyrazol-5-yl)pyrimidine
  参考文献：
  名称：

  NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF

  摘要：

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。

  公开号：

  US20150322063A1
• 作为产物：
  描述：

  5-乙酰基嘧啶 、 N,N-二甲基甲酰胺二甲基缩醛 在 乙醚 、 ice 作用下， 以 异丙醇 为溶剂， 反应 26.0h， 以to obtain 1 g (59% yield) of the title compound的产率得到(E)-3-(dimethylamino)-1-(pyrimidin-5-yl)prop-2-en-1-one
  参考文献：
  名称：

  Preparation method of dihydroindene amide compounds, their pharmaceutical compositions containing compounds thereof and use as protein kinases inhibitor

  摘要：

  该发明提供了一种新型的二氢吲哚酰胺化合物，其通式为I，或其药学上可接受的盐或前药，可用作蛋白激酶抑制剂。该发明提供了该类化合物的制备方法，含有该类化合物的制药组合物，使用它们作为蛋白激酶抑制剂预防或治疗与蛋白激酶活性异常相关的疾病，特别是Abl、Bcr-Abl、c-Kit和PDGFR，并且它们的制备用于预防或治疗与蛋白激酶活性异常相关的疾病，特别是Abl、Bcr-Abl、c-Kit和PDGFR的药物使用。

  公开号：

  US08703771B2

文献信息

• Amide Derivative and Medicine
  申请人：Asaki Tetsuo

  公开号：US20080293940A1

  公开（公告）日：2008-11-27

  The present invention is directed to an amide derivative having excellent BCR-ABL tyrosine kinase inhibitory activity, or a salt thereof. The present invention provides an amide derivative represented by the following general formula (1): [Chemical 23] (wherein R 1 represents —CH 2 —R 11 , etc.; R 2 represents alkyl, halogen, haloalkyl, etc.; R 3 represents hydrogen, etc.; Het1 represents a group of the formula [6] as above, etc.; and Het2 represents pyrimidinyl, etc.), or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same as an active ingredient. The compound of the present invention is useful as a BCR-ABL tyrosine kinase inhibitor.

  本发明涉及具有优异的BCR-ABL酪氨酸激酶抑制活性的酰胺衍生物或其盐。本发明提供了由下述通式（1）表示的酰胺衍生物：[化学式23]（其中，R1代表—CH2—R11等；R2代表烷基、卤素、卤代烷基等；R3代表氢等；Het1代表如上所述的[6]式基团等；Het2代表嘧啶基等），或其药学上可接受的盐，并且提供了包含其作为活性成分的制药组合物。本发明的化合物在作为BCR-ABL酪氨酸激酶抑制剂方面是有用的。
• PREPARATION METHOD OF DIHYDROINDENE AMIDE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS THEREOF AND USE AS PROTEIN KINASES INHIBITOR
  申请人：Yang Xuqing

  公开号：US20110319420A1

  公开（公告）日：2011-12-29

  The invention provides a new kind of dihydroindene amide compounds of general formula I or their pharmaceutically acceptable salts or prodrug thereof which can be used as protein kinase inhibitor. The invention provides a preparation method of the kind of compounds, the pharmaceutical compositions containing the compounds, the method for preventing or curing the diseases related to the abnormity of activities of protein kinases, especially Abl, Bcr-Abl, c-Kit and PDGFR, using them as protein kinase inhibitor, and their preparation use of drug used for preventing or curing the diseases related to the abnormity of activities of protein kinases, especially Abl, Bcr-Abl, c-Kit and PDGFR.

  本发明提供了一种新型的二氢茚酰胺化合物，其通式为I，或其药学上可接受的盐或前药，可用作蛋白激酶抑制剂。本发明还提供了制备该类化合物的方法，含有该化合物的药物组合物，使用它们作为蛋白激酶抑制剂预防或治疗与蛋白激酶活性异常相关的疾病的方法，特别是Abl、Bcr-Abl、c-Kit和PDGFR，以及用于预防或治疗与蛋白激酶活性异常相关的疾病的药物制备用途。
• Preparation method of dihydroindene amide compounds, their pharmaceutical compositions containing compounds thereof and use as protein kinases inhibitor
  申请人：Yang Xuqing

  公开号：US08703771B2

  公开（公告）日：2014-04-22

  The invention provides a new kind of dihydroindene amide compounds of general formula I or their pharmaceutically acceptable salts or prodrug thereof which can be used as protein kinase inhibitor. The invention provides a preparation method of the kind of compounds, the pharmaceutical compositions containing the compounds, the method for preventing or curing the diseases related to the abnormity of activities of protein kinases, especially Abl, Bcr-Abl, c-Kit and PDGFR, using them as protein kinase inhibitor, and their preparation use of drug used for preventing or curing the diseases related to the abnormity of activities of protein kinases, especially Abl, Bcr-Abl, c-Kit and PDGFR.

  该发明提供了一种新型的二氢吲哚酰胺化合物，其通式为I，或其药学上可接受的盐或前药，可用作蛋白激酶抑制剂。该发明提供了该类化合物的制备方法，含有该类化合物的制药组合物，使用它们作为蛋白激酶抑制剂预防或治疗与蛋白激酶活性异常相关的疾病，特别是Abl、Bcr-Abl、c-Kit和PDGFR，并且它们的制备用于预防或治疗与蛋白激酶活性异常相关的疾病，特别是Abl、Bcr-Abl、c-Kit和PDGFR的药物使用。
• PREPARATION METHOD OF DIHYDROINDENE AMIDE COMPOUNDS THEIR PHARMACEUTICAL COMPOSITIONS CONTAING COMPOUNDS THEREOF AND USE AS PROTEIN KINASES INHIBITOR
  申请人：Harbin Gloria Pharmaceuticals Co., Ltd.

  公开号：EP2385035A1

  公开（公告）日：2011-11-09

  The invention provides a new kind of dihydroindene amide compounds of general formula I or their pharmaceutically acceptable salts or prodrug thereof which can be used as protein kinase inhibitor. The invention provides a preparation method of the kind of compounds, the pharmaceutical compositions containing the compounds, the method for preventing or curing the diseases related to the abnormity of activities of protein kinases, especially Abl, Bcr-Abl, c-Kit and PDGFR, using them as protein kinase inhibitor, and their preparation use of drug used for preventing or curing the diseases related to the abnormity of activities of protein kinases, especially Abl, Bcr-Abl, c-Kit and PDGFR,

  本发明提供了一种可用作蛋白激酶抑制剂的通式I的新型二氢茚酰胺化合物或其药学上可接受的盐或原药。本发明提供了该类化合物的制备方法、含有该类化合物的药物组合物、将其作为蛋白激酶抑制剂用于预防或治疗与蛋白激酶（尤其是Abl、Bcr-Abl、c-Kit和PDGFR）活性异常有关的疾病的方法，以及将其制备成药物用于预防或治疗与蛋白激酶（尤其是Abl、Bcr-Abl、c-Kit和PDGFR）活性异常有关的疾病的用途、
• NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：EP2944637A1

  公开（公告）日：2015-11-18

  A compound represented by Formula [1] (in the formula, Z1 represents N, CH, or the like; X1 represents NH or the like; R1 represents a heteroaryl group or the like; each of R2, R3, and R4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R5 represents a heteroaryl group or the like) or salt thereof.

  式 [1] 所代表的化合物（式中，Z1 代表 N、CH 或类似物；X1 代表 NH 或类似物；R1 代表杂芳基或类似物；R2、R3 和 R4 各代表氢原子、卤素原子、烷氧基或类似物；R5 代表杂芳基或类似物）或其盐。