Design, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety
作者:Wei-Jie Si、Xiao-Bin Wang、Min Chen、Meng-Qi Wang、Ai-Min Lu、Chun-Long Yang
DOI:10.1039/c8nj05150j
日期:——
series of novel pyrazole carboxamide and niacinamide derivativescontaining a benzimidazole moiety were designed and synthesized as antifungal candidate agents. All target compounds were characterized by FTIR, 1H NMR, 13C NMR, HRMS and elemental analysis techniques. The structure of compound T1 was further confirmed by single crystal X-ray diffraction analysis. The antifungalactivities of the target
设计并合成了一系列含有苯并咪唑部分的新型吡唑羧酰胺和烟酰胺衍生物,作为抗真菌候选药物。所有目标化合物均通过FTIR,1 H NMR,13 C NMR,HRMS和元素分析技术进行了表征。化合物T1的结构通过单晶X射线衍射分析进一步确认。在体外评估了目标化合物对四种植物病原真菌(灰葡萄孢,立枯根瘤菌,禾谷镰刀菌和黑斑病菌)的抗真菌活性。)通过菌丝体生长抑制方法。生物测定结果表明,一些化合物对显示出良好的抗真菌活性灰霉病以100μgML -1相比其他三个真菌。为了更好地探索结构-活性关系(SAR),测定并评估了目标化合物对灰葡萄孢的EC 50值。随后,基于被测化合物对灰葡萄孢的抑制活性,使用比较分子场分析(CoMFA)技术进行了3D定量结构-活性关系(3D-QSAR)研究。分子建模结果显示具有交叉验证的q 2的良好预测能力和非交叉验证的r 2值分别为0.578和0.850。
NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES
申请人:Bolli Martin
公开号:US20110046170A1
公开(公告)日:2011-02-24
The invention relates to novel pyrimidine-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.
[EN] PYRAZOLE DERIVATIVES AS S1P1 AGONISTS<br/>[FR] DÉRIVÉS DU PYRAZOLE EN TANT QU'AGONISTES S1P1
申请人:ALMIRALL SA
公开号:WO2011144338A1
公开(公告)日:2011-11-24
The present invention relates to a compound of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by sphingosine-1-phosphate receptors (S1P1) agonists.
The invention relates to novel pyrimidine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents Formula (II), Formula (III), Formula (IV), Formula (V), Formula (VI), Formula (VII), Formula (VIII) or Formula (IX)
[EN] NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRIMIDINE-PYRIDINE
申请人:ACTELION PHARMACEUTICALS LTD
公开号:WO2009109907A1
公开(公告)日:2009-09-11
The invention relates to novel pyrimidine-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula I.