2-丙基磺酰基嘧啶-4-甲醛 | 219729-65-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-丙基磺酰基嘧啶-4-甲醛
• 英文名称: 2-(propylthio)pyrimidine-4-carboxaldehyde
• 英文别名: 2-propylthiopyrimidine-4-carboxaldehyde；2-Propylsulfanyl-pyrimidine-4-carbaldehyde；2-propylsulfanylpyrimidine-4-carbaldehyde
• CAS: 219729-65-4
• 化学式: C₈H₁₀N₂OS
• mdl: MFCD08436137
• 分子量: 182.246
• InChiKey: RDMFGANKPJTVRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-丙基磺酰基嘧啶-4-甲醛 在 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-[(1-t-butoxycarbonyl)piperidin-4-yl]-4-(4-fluorophenyl)-5-[2-(2-propylthio)pyrimidin-4-yl]imidazole
  参考文献：
  名称：

  Phenoxypyrimidine inhibitors of p38α kinase

  摘要：

  As a continuation of our work with 1,4,5 substituted imidazole inhibitors of p38 alpha, we report a series of 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-(2-phenoxy-4-pyrimidinyl) imidazoles related to 7. The componds have IC50's for inhibition of p38 alpha ranging from 6.0 to 650 nM. Statistical analysis of the p38 alpha inhibitor potencies shows a correlation of IC50's with the electron donating strength of low molecular weight substituents. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00163-9
• 作为产物：
  描述：

  sodium 4-(dimethoxymethyl)pyrimidine-2-thiolate 在 盐酸 作用下， 生成 2-丙基磺酰基嘧啶-4-甲醛
  参考文献：
  名称：

  Phenoxypyrimidine inhibitors of p38α kinase

  摘要：

  As a continuation of our work with 1,4,5 substituted imidazole inhibitors of p38 alpha, we report a series of 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-(2-phenoxy-4-pyrimidinyl) imidazoles related to 7. The componds have IC50's for inhibition of p38 alpha ranging from 6.0 to 650 nM. Statistical analysis of the p38 alpha inhibitor potencies shows a correlation of IC50's with the electron donating strength of low molecular weight substituents. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00163-9

文献信息

• Substituted imidazole compounds
  申请人：SmithKline Beecham Corporation

  公开号：US06046208A1

  公开（公告）日：2000-04-04

  Novel 1,4,5-substituted imidazole compounds and compositions for use in therapy as cytokine inhibitors.

  新型1,4,5-取代咪唑化合物及其在治疗中作为细胞因子抑制剂使用的组合物。
• compounds of heteroaryl substituted imidazole, their pharmaceutical compositons and uses
  申请人：SmithKline Beecham Corporation

  公开号：US06335340B1

  公开（公告）日：2002-01-01

  Compounds of 1,4,5-substituted imidazole wherein one of the substituents can be a substituted pyrimidine, pyridazine or 1,2,4-triazine. These compounds and their pharmaceutical compositions are used in treating cytokine mediated diseases by inhibiting the production of IL-1 (interleukin-1), IL-8 (interleukin-8), and TNF (tumor necrosis factor).

  1,4,5-取代咪唑化合物，其中一个取代基可以是取代嘧啶、吡啶并[2,3-d]二嗪或1,2,4-三嗪。这些化合物及其药物组合物用于通过抑制IL-1（白细胞介素-1）、IL-8（白细胞介素-8）和TNF（肿瘤坏死因子）的产生来治疗细胞因子介导的疾病。
• Novel substituted imidazole compounds
  申请人：SmithKline Beecham Corporation

  公开号：US20030069243A1

  公开（公告）日：2003-04-10

  Novel 1,4,5 substituted imidazole compounds and compositions for use in therapy as CSBP/p38 kinase inhibitors.

  小说1,4,5取代咪唑化合物和组合物，用作CSBP/p38激酶抑制剂的治疗。
• Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses
  申请人：SmithKline Beecham Corporation

  公开号：US20020198206A1

  公开（公告）日：2002-12-26

  Novel 1,4,5-substituted imidazole compounds and compositions for use in therapy as cytokine inhibitors.

  小说1,4,5-取代咪唑化合物及其用于治疗作为细胞因子抑制剂的组合物。
• COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE
  申请人：Griffin John

  公开号：US20090227602A1

  公开（公告）日：2009-09-10

  The present invention provides compositions of matter, kits and methods for their use in the treatment of MAP kinase-related conditions and/or HMG-CoA reductase-related conditions. In particular, the invention provides compositions for treating inflammatory and/or cardiovascular conditions in an animal subject by inhibiting p38αMAP kinase and/or HMG-CoA reductase, as well as providing formulations and modes of administering such compositions. The invention further provides methods for the rational design of inhibitors of MAP kinase, HMG-CoA reductase, or both for use in the practice of the present invention.

  本发明提供了物质组成、工具箱和方法，用于治疗与MAP激酶相关的疾病和/或HMG-CoA还原酶相关的疾病。具体而言，本发明提供了通过抑制p38αMAP激酶和/或HMG-CoA还原酶来治疗动物主体中的炎症和/或心血管疾病的组合物，以及提供这种组合物的配方和给药方式。本发明还提供了用于理性设计MAP激酶、HMG-CoA还原酶或两者的抑制剂的方法，以用于本发明的实践。