tert-butyl 4-{[5-[(1E)-3-ethoxy-3-oxo-1-propenyl]-6-methyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzoate | 642455-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl 4-{[5-[(1E)-3-ethoxy-3-oxo-1-propenyl]-6-methyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzoate
• 英文别名: tert-butyl 4-[[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-methyl-2-methylsulfanylpyrimidin-4-yl]amino]benzoate
• CAS: 642455-54-7
• 化学式: C₂₂H₂₇N₃O₄S
• 分子量: 429.54
• InChiKey: RJSCUZDUVNAPKV-OUKQBFOZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-{[5-[(1E)-3-ethoxy-3-oxo-1-propenyl]-6-methyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzoate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 31.5h， 生成 tert-butyl 4-(4-methyl-2-(methylsulfonyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)benzoate
  参考文献：
  名称：

  Solid-phase synthesis of pyrido[2,3-d]pyrimidin-7-ones

  摘要：

  A novel solid-phase method for the synthesis of 4-methyl-pyrido[2,3-d]pyrimidin-7-one compounds with two diversity points is described. The polymer supported methylsulfonyl derivatives A(3), achieved by coupling compound G with different resin-bound amines A(1) followed by oxidation with MCPBA, are substituted with several amines R1R2NH. Final cleavage affords 126 compounds having formula H in good yield and purity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.030
• 作为产物：
  描述：

  亚乙基丙二酸二乙酯 在 manganese(IV) oxide 、 sodium tetrahydroborate 、 TEA 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 反应 86.5h， 生成 tert-butyl 4-{[5-[(1E)-3-ethoxy-3-oxo-1-propenyl]-6-methyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzoate
  参考文献：
  名称：

  Solid-phase synthesis of pyrido[2,3-d]pyrimidin-7-ones

  摘要：

  A novel solid-phase method for the synthesis of 4-methyl-pyrido[2,3-d]pyrimidin-7-one compounds with two diversity points is described. The polymer supported methylsulfonyl derivatives A(3), achieved by coupling compound G with different resin-bound amines A(1) followed by oxidation with MCPBA, are substituted with several amines R1R2NH. Final cleavage affords 126 compounds having formula H in good yield and purity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.030

文献信息

• Pyridopyrimidinones derivatives as telomerase inhibitors
  申请人：Pharmacia Italia S.p.A.

  公开号：US20040009993A1

  公开（公告）日：2004-01-15

  The invention provides novel pyrido[2,3-d]pyrimidin-7(8H)-ones derivatives active as telomerase inhibitors, the use of the derivatives as therapeutic agents, such as antitumoral agents, processes for preparation of the derivatives, and to pharmaceutical compositions comprising the derivatives.

  这项发明提供了作为端粒酶抑制剂活性的新型吡啶并[2,3-d]嘧啶-7(8H)-酮衍生物，以及这些衍生物作为治疗剂（如抗肿瘤剂）的用途，制备这些衍生物的方法，以及包含这些衍生物的药物组合物。
• US7019002B2
  申请人：——

  公开号：US7019002B2

  公开（公告）日：2006-03-28
• Solid-phase synthesis of pyrido[2,3-d]pyrimidin-7-ones
  作者：Mauro Angiolini、Domenico Fusar Bassini、Markus Gude、Maria Menichincheri

  DOI：10.1016/j.tetlet.2005.10.030

  日期：2005.12

  A novel solid-phase method for the synthesis of 4-methyl-pyrido[2,3-d]pyrimidin-7-one compounds with two diversity points is described. The polymer supported methylsulfonyl derivatives A(3), achieved by coupling compound G with different resin-bound amines A(1) followed by oxidation with MCPBA, are substituted with several amines R1R2NH. Final cleavage affords 126 compounds having formula H in good yield and purity. (c) 2005 Elsevier Ltd. All rights reserved.