2-(tert-butyldimethyl-silyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone | 152122-41-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(tert-butyldimethyl-silyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone
• 英文别名: 2-(tert-butyldimethylsilanyloxy)-1-(4-fluorophenyl)-2-pyridin-4-ylethanone；2-(t-butyldimethylsilyloxy)-4'-fluoro-2-(pyridin-4-yl)acetophenone；1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-yl-ethanone tert-butyldimethylsilyl ether；2-(tert-butyldimethylsilyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone；1-(t-butyldimethylsilyloxy)-2-(4-fluorophenyl)-1-(4-pyridyl)ethanone；1-(4-fluorophenyl)-2-t-butyldimethylsiloxy-2-(4-pyridyl) ethanone；2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-(4-fluorophenyl)-2-(4-pyridinyl)-ethanone；2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-2-pyridin-4-ylethanone
• CAS: 152122-41-3
• 化学式: C₁₉H₂₄FNO₂Si
• 分子量: 345.489
• InChiKey: RJFVLIVBISPPNO-UHFFFAOYSA-N

物化性质

• 沸点：
  419.5±40.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-(tert-butyldimethyl-silyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone 在 dipotassium peroxodisulfate 、 copper diacetate 、 ammonium acetate 、 溶剂黄146 作用下， 反应 18.67h， 生成 4-(4-氟苯基)-2-(4-甲基亚磺酰基苯基)-5-(4-吡啶基)-1H-咪唑
  参考文献：
  名称：

  Regulation of stress-induced cytokine production by pyridinylimidazoles; inhibition of CSBP kinase

  摘要：

  Members of three classes of pyridinylimidazoles bind with varying affinities to CSBP (p38) kinase which is a member of a stress-induced signal transduction pathway. Based upon SAR and protein homology modeling, the pharmacophore and three potential modes of binding to the enzyme are presented. For a subset of pyridinylimidazoles, binding is shown to correlate with inhibition of CSBP kinase activity, whereas no significant inhibition of PKA, PKC alpha and ERK kinase activity is observed. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00212-x
• 作为产物：
  描述：

  4-吡啶甲醇 在 4-二甲氨基吡啶 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 6.25h， 生成 2-(tert-butyldimethyl-silyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone
  参考文献：
  名称：

  使用SPECT定性诊断癌症的p38α选择性放射性探针的开发。

  摘要：

  目的p38促分裂原活化蛋白（MAP）激酶（p38α）作为治疗和诊断癌症的新靶标分子已引起人们的注意，并且在各种类型的癌症中都有过表达和激活。在这项研究中，开发了p38α的单光子发射计算机断层扫描（SPECT）成像探针，可对p38α活性进行无创成像，以有效地定性诊断癌症。方法根据p38α-选择性抑制剂的结构设计合成吡咯并吡啶衍生物m-YTM和p-YTM。合成放射性碘标记的m-YTM [125I] m-YTM是因为在检查化合物的抑制作用后，m-YTM极大地抑制了p38α的磷酸化。在研究了[125I] m-YTM与重组p38α的结合亲和力后，进行了使用活化的p38α和非活化的p38α的饱和结合实验以确定结合位点。研究了[125I] m-YTM在各种癌细胞系中的摄取，并使用荷瘤小鼠评估了药代动力学。结果m-YTM的抑制活性比p38α选择性抑制剂SB203580高约13倍。估计[125I] m-YT

  DOI：

  10.1007/s12149-019-01341-0

文献信息

• [EN] MODULATORS OF HCV REPLICATION<br/>[FR] MODULATEURS DE LA REPLICATION DU VHC
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2006021449A1

  公开（公告）日：2006-03-02

  The present invention is directed to the use of certain 2,4,5-trisubstituted imidazole derivatives in modulating the replication of Hepatitis C virus RNA and/or virus production in cells.

  本发明涉及在调节丙型肝炎病毒RNA的复制和/或细胞中病毒产生中使用某些2,4,5-三取代咪唑衍生物。
• Oxazoles for treating cytokine mediated diseases
  申请人：SmithKline Beecham Corporation

  公开号：US06288062B1

  公开（公告）日：2001-09-11

  This invention relates to the novel oxazole compounds of Formula (I) and novel pharmaceutical compositions comprising a compound of Formula (I) and a pharmaceutically acceptable diluent or carrier. This invention also relates to a method of inhibiting cytokines and the treatment of cytokine mediated diseases, in mammals, thereby by administration of an effective amount of a compound according to Formula (I).

  这项发明涉及到式（I）的新型噁唑化合物以及包括式（I）化合物和药用可接受的稀释剂或载体的新型药物组合物。该发明还涉及一种通过给哺乳动物按照式（I）的化合物的有效量进行给药来抑制细胞因子和治疗细胞因子介导疾病的方法。
• POTENTIATORS OF BETA-LACTAM ANTIBIOTICS
  申请人：UNIVERSITY OF NOTRE DAME DU LAC

  公开号：US20180044316A1

  公开（公告）日：2018-02-15

  We disclose herein that the BlaR1 protein of methicillin-resistant Staphylococcus aureus (MRSA), an antibiotic sensor/signal transducer, is phosphorylated on exposure to β-lactam antibiotics. This event is critical for the onset of the biochemical events that unleash induction of antibiotic resistance. The BlaR1 phosphorylation and the antibiotic-resistance phenotype are abrogated in the presence of inhibitors described herein that restore susceptibility of the organism to β-lactam antibiotics. The invention thus provides compounds and methods for abrogating antibiotic resistance to β-lactam antibiotics and for treating infections causes by antibiotics prone to developing resistance.

  我们在此披露，甲氧西林耐药金黄色葡萄球菌（MRSA）的BlaR1蛋白质是一种抗生素感受器/信号转导器，当暴露于β-内酰胺类抗生素时，该蛋白质被磷酸化。这一事件对于引发生物化学事件并释放抗生素耐药性的发生至关重要。BlaR1的磷酸化和抗生素耐药表型在存在本文所述的抑制剂时被废除，这些抑制剂恢复了该生物对β-内酰胺类抗生素的敏感性。因此，本发明提供了用于废除β-内酰胺类抗生素的抗生素耐药性和治疗由易于产生耐药性的抗生素引起的感染的化合物和方法。
• Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents
  申请人：Amgen Inc.

  公开号：US20030096819A1

  公开（公告）日：2003-05-22

  The present invention comprises a new class of novel aryl and heteroaryl substituted fused pyrrole compounds useful for the prophylaxis and treatment of diseases or conditions, such as TNF-&agr;, IL-1&bgr; , IL-6 and/or IL-8 mediated diseases, and other maladies, such as pain and diabetes. In particular, the compounds of the invention are useful for the prophylaxis and treatment of diseases or conditions involving inflammation. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of inflammation and other maladies, such as pain and diabetes, using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  本发明涉及一类新型的芳基和杂环芳基取代融合吡咯化合物，用于预防和治疗疾病或病症，例如TNF-α，IL-1β，IL-6和/或IL-8介导的疾病，以及其他疾病，如疼痛和糖尿病。特别地，本发明的化合物用于预防和治疗涉及炎症的疾病或病症。因此，本发明还包括包含本发明的化合物的制药组合物，使用本发明的化合物和组合物预防和治疗炎症和其他疾病或病症的方法，以及用于制备本发明化合物的中间体和过程。本发明还涉及制备这种化合物的过程以及在这些过程中有用的中间体。
• Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents
  申请人：Amgen Inc.

  公开号：US06440973B1

  公开（公告）日：2002-08-27

  The present invention comprises a new class of novel aryl and heteroaryl substituted fused pyrrole compounds useful for the prophylaxis and treatment of diseases or conditions, such as TNF-&agr;, IL-1&bgr;, IL-6 and/or IL-8 mediated diseases, and other maladies, such as pain and diabetes. In particular, the compounds of the invention are useful for the prophylaxis and treatment of diseases or conditions involving inflammation. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of inflammation and other maladies, such as pain and diabetes, using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  本发明涉及一类新型芳基和杂环芳基取代的融合吡咯化合物，用于预防和治疗疾病或病症，如TNF-α、IL-1β、IL-6和/或IL-8介导的疾病，以及其他疾病，如疼痛和糖尿病。特别地，本发明的化合物对涉及炎症的疾病或病症的预防和治疗有用。因此，本发明还包括包含本发明的化合物的制药组合物、使用本发明的化合物和组合物预防和治疗炎症和其他疾病或病症的方法，以及用于制备本发明的化合物的中间体和过程。该发明还涉及制备这种化合物的过程，以及在这种过程中有用的中间体。