4-(4-氟苯基)-1,3-恶唑 | 620633-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(4-氟苯基)-1,3-恶唑
• 英文名称: 4-(4-Fluoro-phenyl)-oxazole
• 英文别名: 4-(4-Fluorophenyl)oxazole；4-(4-fluorophenyl)-1,3-oxazole
• CAS: 620633-04-7
• 化学式: C₉H₆FNO
• 分子量: 163.151
• InChiKey: BYQONSONZKLLCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(4-氟苯基)-1,3-恶唑 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 生成 5-bromo-4-(4-fluorophenyl)oxazole
  参考文献：
  名称：

  IMIDAZO[1,2-A]PYRIDINE DERIVATIVES

  摘要：

  The current invention relates to compounds of the formula (I), wherein the substituents are as defined in claim 1, to processes and methods for preparing compounds of formula (I), to agrochemical compositions comprising compounds of formula (I) as defined in claim 1, to preparation of these compositions and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.

  公开号：

  WO2024126404A1
• 作为产物：
  描述：

  甲酸铵 、 2-溴-4'-氟苯乙酮 在 水 、 二氯甲烷 、 Sodium sulfate-III 、 silica gel 作用下， 以 甲酸 为溶剂， 反应 4.33h， 以to provide 1.62 grams (22%) of the title compound的产率得到4-(4-氟苯基)-1,3-恶唑
  参考文献：
  名称：

  Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors

  摘要：

  本发明涉及Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione金属蛋白酶抑制剂，其化学式为：其中环X为5-7元杂环，A、Y、B、G和W的定义如规范所述；以及用于治疗炎症、癌症和其他疾病的制药组合物和方法。

  公开号：

  US06916807B2

文献信息

• Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors
  申请人：——

  公开号：US20040006057A1

  公开（公告）日：2004-01-08

  The present invention relates to triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione; metalloproteinase inhibitors of the formula 1 wherein X, A, Y, B, G, W, and R 1 are as defined in the specification, and to pharmaceutical compositions and methods of treating inflammation, cancer and other disorders.

  本发明涉及三芳基氧基吡啶二酮类金属蛋白酶抑制剂，其化学式为1，其中X、A、Y、B、G、W和R1如规范中所定义，并涉及用于治疗炎症、癌症和其他疾病的药物组合物和方法。
• Converting oxazoles into imidazoles: new opportunities for diversity-oriented synthesis
  作者：Thibaut Alzieu、Johannes Lehmann、Ajay B. Naidu、Rainer E. Martin、Robert Britton

  DOI：10.1039/c3cc48467j

  日期：——

  We report the optimization of a neglected reaction for the rapid and direct conversion of oxazoles into N-substituted imidazoles. The utility of this microwave-promoted reaction for diversity-oriented synthesis is demonstrated in the preparation of >40 N-substituted imidazoles, including alpha-imidazolyl esters.

  我们报告了快速和直接将恶唑转化为N-取代的咪唑的被忽视反应的优化。微波促进反应在面向多样性的合成中的实用性在包括α-咪唑基酯在内的> 40种N-取代的咪唑的制备中得到了证明。
• SUBSTITUENT-INCLUDING UREA COMPOUND
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3915558A1

  公开（公告）日：2021-12-01

  An object of the present invention is to provide a compound that has a specific chemical structure having an activation effect on SIRT6 and is useful as an active component for preventing and treating inflammatory diseases. The present invention relates to a compound represented by Formula (1) or a pharmaceutically acceptable salt thereof. (Each symbol in Formula (1) has the same definition as that described in the specification.)

  本发明的目的是提供一种化合物，该化合物具有特定的化学结构，对 SIRT6 具有激活作用，可作为预防和治疗炎症性疾病的活性成分。本发明涉及一种由式（1）代表的化合物或其药学上可接受的盐。 式（1）中各符号的定义与说明书中所述的相同）。
• Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay
  作者：Jian Li、Jing Chen、Chunshan Gui、Li Zhang、Yu Qin、Qiang Xu、Jian Zhang、Hong Liu、Xu Shen、Hualiang Jiang

  DOI：10.1016/j.bmc.2005.11.006

  日期：2006.4

  Cyclophilin A (CypA) is a member of cyclophilins, a family of the highly homologous peptidyl prolyl cis-trans isomerases (PPIases), which can bind to cyclosporin A (CsA). CypA plays critical roles in various biological processes, including protein folding, assembly, transportation, regulation of neuron growth, and HIV replication. The discovery of CypA inhibitor is now of a great special interest in the treatment of immunological disorders. In this study, a series of novel small molecular CypA inhibitors have been discovered by using structure-based virtual screening in conjunction with chemical synthesis and bioassay. The SPECS-1 database containing 85,000 small molecular compounds was searched by virtual screening against the crystal structure of human CypA. After SPR-based binding affinity assay, 15 compounds were found to show binding affinities to CypA at submicro-molar or micromolar level (compounds 1-15). Seven compounds were selected as the starting point for the further structure modification in considering binding activity, synthesis difficulty, and structure similarity. We thus synthesized 40 new small molecular compounds (1-6, 15, 16a-q, 17a-d, and 18a-I), and four of which (compounds 16b, 16h 16k,. and 18g) showed high CypA PPIase inhibition activities with IC50S of 2.5-6,2 mu M. Pharmacological assay indicated that these four Compounds demonstrated somewhat inhibition activities against the proliferation of spleen cells. (c) 2005 Elsevier Ltd. All rights reserved.
• Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13
  作者：Kevin D. Freeman-Cook、Lawrence A. Reiter、Mark C. Noe、Amy S. Antipas、Dennis E. Danley、Kaushik Datta、James T. Downs、Shane Eisenbeis、James D. Eskra、David J. Garmene、Elaine M. Greer、Richard J. Griffiths、Roberto Guzman、Joel R. Hardink、Fouad Janat、Christopher S. Jones、Gary J. Martinelli、Peter G. Mitchell、Ellen R. Laird、Jennifer L. Liras、Lori L. Lopresti-Morrow、Jayvardhan Pandit、Usa D. Reilly、Donald Robertson、Marcie L. Vaughn-Bowser、Lilli A. Wolf-Gouviea、Sue A. Yocum

  DOI：10.1016/j.bmcl.2007.09.085

  日期：2007.12

  Explorations in the pyrimidinetrione series of MMP-13 inhibitors led to the discovery of a series of spiro-fused compounds that are potent and selective inhibitiors of MMP-13. While other spiro-fused motifs are hydrolytically unstable, presumably due to electronic destabilization of the pyrimidinetrione ring, the spiropyrrolidine series does not share this liability. Greater than 100-fold selectivity versus other MMP family members was achieved by incorporation of an extended aryl-heteroaryl P1' group. When dosed as the sodium salt, these compounds displayed excellent oral absorption and pharmacokinetic properties. Despite the selectivity, a representative of this series produced fibroplasia in a 14 day rat study. (c) 2007 Elsevier Ltd. All rights reserved.