3-[2-methylthio-4-pyrimidinyl]imidazo[1,2-a]pyridine | 328062-29-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 3-[2-methylthio-4-pyrimidinyl]imidazo[1,2-a]pyridine
• 英文别名: 4-(imidazo[1,2-a]pyrid-3-yl)-2-methylthiopyrimidine；3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine
• CAS: 328062-29-9
• 化学式: C₁₂H₁₀N₄S
• 分子量: 242.304
• InChiKey: KICARPPMADMEAU-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-methylthio-4-pyrimidinyl]imidazo[1,2-a]pyridine 在 N-甲基吡咯烷酮 、 氯磺酸 、 氯化亚砜 、 sodium hexamethyldisilazane 作用下， 以 甲醇 为溶剂， 反应 8.0h， 生成 2-{4-[N-(2-methoxyethyl)sulphamoyl]anilino}-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
  参考文献：
  名称：

  Imidazo[1,2- a ]pyridines. Part 2 : SAR and optimisation of a potent and selective class of cyclin-dependent kinase inhibitors

  摘要：

  Exploration of SAR and optimisation of the imidazo[1,2-a]pyridine CDK inhibitors has lead to the discovery of novel, potent and selective inhibitors of the cyclin-dependent kinase CDK2. Understanding of SAR has identified positions Of Substitution, which allow modification of physical properties and offer the potential for in vivo optimisation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.015
• 作为产物：
  描述：

  (E)-3-(二甲氨基)-1-咪唑并[1,2-a]吡啶-3-基-2-丙烯-1-酮 在 sodium methylate 作用下， 以 正丁醇 为溶剂， 反应 3.0h， 生成 3-[2-methylthio-4-pyrimidinyl]imidazo[1,2-a]pyridine
  参考文献：
  名称：

  Imidazo[1,2- a ]pyridines. Part 2 : SAR and optimisation of a potent and selective class of cyclin-dependent kinase inhibitors

  摘要：

  Exploration of SAR and optimisation of the imidazo[1,2-a]pyridine CDK inhibitors has lead to the discovery of novel, potent and selective inhibitors of the cyclin-dependent kinase CDK2. Understanding of SAR has identified positions Of Substitution, which allow modification of physical properties and offer the potential for in vivo optimisation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.015

文献信息

• Pyrimidine compounds
  申请人：——

  公开号：US20040077642A1

  公开（公告）日：2004-04-22

  The present invention relates to new compounds of the formula (I) a process for their preparation, pharmaceutical formulations containing said therapeutically active compounds and to the use of said active compounds in therapy, as well as intermediates used in the preparation of said active compounds. 1

  本发明涉及公式（I）的新化合物，其制备过程，含有该治疗活性化合物的制药配方以及在治疗中使用该活性化合物，以及用于制备该活性化合物的中间体。
• Novel Substituted Imidazole Derivative
  申请人：Kawamura Mikako

  公开号：US20080070894A1

  公开（公告）日：2008-03-20

  The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X 1 , X 2 , X 3 , and X 4 , which may be identical or different, are each C or N, provided that none to two of X 1 , X 2 , X 3 , and X 4 is/are N; Y is CH or N; R 1 , R 1 ′, R 2 , R 2 ′, R 3 , R 3 ′, R 4 , and R 4 ′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 5 is a hydrogen atom or a methyl group; R 6 and R 7 , which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 8 and R 8 ′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

  本发明涉及一种由式[I]表示的化合物或其药学上可接受的盐或酯：其中，X1、X2、X3和X4可以相同也可以不同，分别为C或N，但是X1、X2、X3和X4中至少有一个或最多两个是N；Y为CH或N；R1、R1'、R2、R2'、R3、R3'、R4和R4'可以相同也可以不同，分别为氢原子、低碳基或类似物；R5为氢原子或甲基基团；R6和R7可以相同也可以不同，分别为氢原子、低碳基或类似物；R8和R8'可以相同也可以不同，分别为氢原子、低碳基或类似物；R9为取代的芳基或杂环基；n为1到3的整数。本发明还涉及一种PLK1抑制剂或含有该化合物的抗癌剂。
• Substituted imidazole derivative
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07718801B2

  公开（公告）日：2010-05-18

  The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X1, X2, X3, and X4, which may be identical or different, are each C or N, provided that none to two of X1, X2, X3, and X4 is/are N; Y is CH or N; R1, R1′, R2, R2′, R3, R3′, R4, and R4′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R5 is a hydrogen atom or a methyl group; R6 and R7, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R8 and R8′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

  本发明涉及一种由式[I]表示的化合物或其药学上可接受的盐或酯：其中，X1、X2、X3和X4可以相同或不同，每个为C或N，但X1、X2、X3和X4中的任意一个到两个不能是N；Y为CH或N；R1、R1'、R2、R2'、R3、R3'、R4和R4'可以相同或不同，每个为氢原子、低碳基或类似物；R5为氢原子或甲基基团；R6和R7可以相同或不同，每个为氢原子、低碳基或类似物；R8和R8'可以相同或不同，每个为氢原子、低碳基或类似物；R9为取代的芳基或杂芳基；n为1到3的整数；以及包含该化合物的PLK1抑制剂或抗癌药物。
• NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1790650A1

  公开（公告）日：2007-05-30

  The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X1, X2, X3, and X4, which may be identical or different, are each C or N, provided that none to two of X1, X2, X3, and X4 is/are N; Y is CH or N; R1, R1', R2, R2', R3, R3', R4, and R4', which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R5 is a hydrogen atom or a methyl group; R6 and R7, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R8 and R8', which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

  本发明涉及一种由式[I]代表的化合物或其药学上可接受的盐或酯： 其中 X1、X2、X3和X4（可以相同或不同）各自是C或N，条件是X1、X2、X3和X4中没有一个至两个是/是N； Y 是 CH 或 N； R1、R1'、R2、R2'、R3、R3'、R4 和 R4'（可以相同或不同）各自是氢原子、低级烷基或类似物； R5 是氢原子或甲基； R6 和 R7 可以相同或不同，各自为氢原子、低级烷基或类似物； R8 和 R8'可以相同或不同，各自为氢原子、低级烷基或类似物； R9 是芳基或杂芳基，可被取代；以及 n 是 1 至 3 的整数、 以及 PLK1 抑制剂或含有相同成分的抗癌剂。
• EP1790650
  申请人：——

  公开号：——

  公开（公告）日：——