3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]-pyrimidin-4-yl}-4-methyl-N-(1,3-thiazol-2-yl)benzamide | 911488-58-9

• 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: 3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]-pyrimidin-4-yl}-4-methyl-N-(1,3-thiazol-2-yl)benzamide
• 英文别名: 3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl}-4-methyl-N-1,3-thiazol-2-ylbenzamide；3-[8-(2,6-difluorophenyl)-2-(1H-imidazol-2-ylmethylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
• CAS: 911488-58-9
• 化学式: C₂₈H₂₀F₂N₈O₂S
• 分子量: 570.582
• InChiKey: QFLCTTKLWCCUQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  157
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]-pyrimidin-4-yl}-4-methyl-N-(1,3-thiazol-2-yl)benzamide 在 硫酸 作用下， 以 水 、 乙腈 为溶剂， 以72.5%的产率得到3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl}-4-methyl-N-1,3-thiazol-2-ylbenzamide sulfate
  参考文献：
  名称：

  WO2007/147103

  摘要：

  公开号：
• 作为产物：
  描述：

  2,6-二氟苯胺 在 四(三苯基膦)钯 potassium carbonate 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.25h， 生成 3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]-pyrimidin-4-yl}-4-methyl-N-(1,3-thiazol-2-yl)benzamide
  参考文献：
  名称：

  WO2007/147103

  摘要：

  公开号：

文献信息

• Novel compounds
  申请人：Callahan F. James

  公开号：US20060235029A1

  公开（公告）日：2006-10-19

  Novel substituted 2,4,8-trisubstituted 8H-pyrido[2,3-d]pyrimidin-7-one containing compounds and compositions, and their use use in therapy as CSBP/RK/p38 kinase inhibitors.

  小说替代2,4,8-三取代8H-吡啶[2,3-d]嘧啶-7-酮含化合物和组合物，并用于治疗作为CSBP / RK / p38激酶抑制剂。
• Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives
  申请人：Boehm C. Jeffrey

  公开号：US20060258687A1

  公开（公告）日：2006-11-16

  The present invention is directed to a novel method of preparing of 2,4,8-trisubstituted pyrido[2,3-d]pyrimidin-7-one pharmacophores of Formula (II) or (IIa) wherein G1 is CH 2 or NH: G2 is CH or nitrogen; Rx is chloro, bromo, iodo, or O—S(O) 2 CF 3 ; R g is a C 1-10 alkyl; m is 0, or an integer having a value of 1, or 2; R 3 is a C 1-10 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkyl C 1-10 alkyl, aryl, arylC 1-10 alkyl, heteroaryl, heteroarylC 1-10 alkyl, heterocyclic or a heterocyclylC 1-10 alkyl moiety, and wherein each of these moieties may be optionally substituted. which comprises reacting a compound of the formula: wherein Ry is chloro, bromo, iodo, O—S(O) 2 CF 3 ; and Rg is a C 1-10 alkyl; with a olefin forming reagent in a suitable base to yield a compound of Formula (II), or (IIa) wherein m=0 and oxidizing the sulphur as necessary or desired.

  本发明涉及一种制备2,4,8-三取代吡啶[2,3-d]嘧啶-7-酮药效团的新方法，其化学式为(II)或(IIa)，其中G1为CH2或NH；G2为CH或氮；Rx为氯、溴、碘或O-S(O)2CF3；Rg为C1-10烷基；m为0，或具有值为1或2的整数；R3为C1-10烷基、C3-7环烷基、C3-7环烷基C1-10烷基、芳基、芳基C1-10烷基、杂芳基、杂芳基C1-10烷基、杂环或杂环C1-10烷基基团，其中这些基团可以选择性地被取代。该方法包括将以下化合物与烯烃形成试剂在适当的碱性条件下反应，从而得到化合物(II)或(IIa)，其中m=0，并根据需要或需要氧化硫。化合物的化学式为：其中Ry为氯、溴、碘、O-S(O)2CF3；Rg为C1-10烷基。
• Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives
  申请人：Callahan Francis James

  公开号：US20080096905A1

  公开（公告）日：2008-04-24

  The present invention is directed to a novel method of preparing of 2,4,8-trisubstituted pyrido[2,3-d]pyrimidin-7-one pharmacophores of Formula (II) wherein G1 is CH 2 or NH: G2 is CH or nitrogen; Rx is chloro, bromo, iodo, or O—S(O) 2 CF 3 ; R g is a C 1-10 alkyl; m is 0, or an integer having a value of 1, or 2; R 3 is a C 1-10 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkyl C 1-10 alkyl, aryl, arylC 1-10 alkyl, heteroaryl, heteroarylC 1-10 alkyl, heterocyclic or a heterocyclylC 1-10 alkyl moiety, and wherein each of these moieties may be optionally substituted. which comprises reacting a compound of the formula: wherein Ry is chloro, bromo, iodo, O—S(O) 2 CF 3 ; and Rg is a C 1-10 alkyl; with a olefin forming reagent in a suitable base to yield a compound of Formula (II), wherein m=0 and oxidizing the sulphur as necessary or desired.

  本发明涉及一种制备2,4,8-三取代吡啶[2,3-d]嘧啶-7-酮药效团（式（II））的新方法，其中G1为CH2或NH；G2为CH或氮；Rx为氯、溴、碘或O—S（O）2CF3；Rg为C1-10烷基；m为0或1或2；R3为C1-10烷基、C3-7环烷基、C3-7环烷基C1-10烷基、芳基、芳基C1-10烷基、杂芳基、杂芳基C1-10烷基、杂环或杂环C1-10烷基基团，其中这些基团均可选择性地被取代。该方法包括将下式化合物与烯烃形成试剂在适当碱的作用下反应，得到式（II）的化合物，其中m=0，并根据需要或意愿氧化硫。其中式中Ry为氯、溴、碘或O—S（O）2CF3；Rg为C1-10烷基。
• Novel Compounds
  申请人：Callahan James Francis

  公开号：US20090069318A1

  公开（公告）日：2009-03-12

  Novel substituted 2,4,8-trisubstituted 8H-pyrido[2,3-d]pyrimidin-7-one containing compounds and compositions, and their use in therapy as CSBP/RK/p38 kinase inhibitors.

  小说代替了2,4,8-三取代8H-吡啶[2,3-d]嘧啶-7-酮化合物和组合物，并且它们作为CSBP / RK / p38激酶抑制剂在治疗中使用。
• Compounds
  申请人：Glaxo Group Limited

  公开号：US08207176B2

  公开（公告）日：2012-06-26

  The present invention is directed to novel substituted 2,4,8-trisubstituted 8H-pyrido[2,3-d]pyrimidin-7-one containing compounds, compositions, and use in therapy as CSBP/RK/p38 kinase inhibitors of Formulas (V) and (Va) wherein inter alia, G5 and G6 are nitrogen and CH, provided that only one of G5 or G6 is nitrogen and the other is CH; R1 is C(Z)N(R10′)(CR10R20)vRb, C(Z)O(CR10R20)vRb, N(R10′)C(Z)(CR10R20)vRb, N(R10′)C(Z)N(R10′)(CR10R20)vRb, or N(R10′)OC(Z)(CR10R20)vRb; R1′ is independently selected at each occurrence from halogen, C1-4 alkyl, halo-substituted-C1-4 alkyl, cyano, nitro, (CR10R20)v′NRdRd′, (CR10R20)v′C(O)R12, SR5, S(O)R5, S(O)2R5, or (CR10R20)v′OR13; Rb is hydrogen, C1-10 alkyl, C3-7 cycloalkyl, C3-7 cycloalkyl C1-10 alkyl, aryl, arylC1-10alkyl, heteroaryl, heteroarylC1-10 alkyl, heterocyclic, or heterocyclylC1-10 alkyl moiety, which moieties, excluding hydrogen, may all be optionally substituted; X is R2, OR2′, S(O)mR2′, (CH2)n′N(R10′)S(O)mR2′, (CH2)n′N(R10′)C(O)R2′, (CH2)n′NR4R14, (CH2)n′N(R2′)(R2″), or N(R10′)RhNH—C(═N—CN)NRqRq′; and R3 is a C1-10 alkyl, C3-7 cycloalkyl, C3-7 cycloalkyl C1-10 alkyl, aryl, arylC1-10 alkyl, heteroaryl, heteroarylC1-10 alkyl, heterocyclic or a heterocyclylC1-10 alkyl moiety, and wherein each of these moieties may be optionally substituted.

  本发明涉及一种新型的取代的2,4,8-三取代8H-吡啶[2,3-d]嘧啶-7-酮化合物、组合物和在治疗中用作CSBP/RK/p38激酶抑制剂的化合物，其化学式为(V)和(Va)，其中，G5和G6是氮和CH，但只有G5或G6是氮，另一个是CH；R1是C(Z)N(R10′)(CR10R20)vRb，C(Z)O(CR10R20)vRb，N(R10′)C(Z)(CR10R20)vRb，N(R10′)C(Z)N(R10′)(CR10R20)vRb或N(R10′)OC(Z)(CR10R20)vRb；R1′在每次出现时独立选择自卤素、C1-4烷基、卤代C1-4烷基、氰基、硝基、(CR10R20)v′NRdRd′、(CR10R20)v′C(O)R12、SR5、S(O)R5、S(O)2R5或(CR10R20)v′OR13；Rb是氢、C1-10烷基、C3-7环烷基、C3-7环烷基C1-10烷基、芳基、芳基C1-10烷基、杂芳基、杂芳基C1-10烷基、杂环或杂环基C1-10烷基基团，这些基团（不包括氢）都可以选择性地被取代；X是R2、OR2′、S(O)mR2′、(CH2)n′N(R10′)S(O)mR2′、(CH2)n′N(R10′)C(O)R2′、(CH2)n′NR4R14、(CH2)n′N(R2′)(R2″)或N(R10′)RhNH—C(═N—CN)NRqRq′；而R3是C1-10烷基、C3-7环烷基、C3-7环烷基C1-10烷基、芳基、芳基C1-10烷基、杂芳基、杂芳基C1-10烷基、杂环或杂环基C1-10烷基基团，这些基团都可以选择性地被取代。