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1-[(6-氯-3-吡啶基)甲基]-N-(4-乙氧基苯基)-3-苯基-1H-吡唑-5-甲酰胺

1-[(6-Chloro-3-pyrid-yl)meth-yl]-N-(4-ethoxy-phen-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

作者信息

Tang Zheng, Ding Xiao-Liang, Dong Wen-Liang, Zhao Bao-Xiang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o865-6. doi: 10.1107/S1600536809010290.

DOI:10.1107/S1600536809010290
PMID:21582579
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968942/
Abstract

In the title compound, C(24)H(21)ClN(4)O(2), the pyrazole ring makes dihedral angles of 7.70 (11), 89.17 (11) and 40.68 (11)° with the phenyl, pyridine and ethoxy-phenyl rings, respectively. There are some intra-molecular C-H⋯O and C-H⋯π bonds giving rigidity to the mol-ecule, while weak inter-molecular N-H⋯N and C-H⋯π hydrogen bonds link the mol-ecules into a two-dimensional structure.

摘要

在标题化合物C₂₄H₂₁ClN₄O₂中，吡唑环与苯环、吡啶环和乙氧基苯环的二面角分别为7.70 (11)°、89.17 (11)°和40.68 (11)°。存在一些分子内的C—H⋯O和C—H⋯π键，使分子具有刚性，而弱的分子间N—H⋯N和C—H⋯π氢键将分子连接成二维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef71/2968942/51e5594531c0/e-65-0o865-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef71/2968942/51e5594531c0/e-65-0o865-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef71/2968942/51e5594531c0/e-65-0o865-fig1.jpg

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本文引用的文献

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Bioorg Med Chem. 2008 Dec 15;16(24):10165-71. doi: 10.1016/j.bmc.2008.10.066. Epub 2008 Nov 5.
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Synthesis and discovery of a novel pyrazole derivative as an inhibitor of apoptosis through modulating integrin beta4, ROS, and p53 levels in vascular endothelial cells.一种新型吡唑衍生物的合成与发现：通过调节血管内皮细胞中的整合素β4、活性氧和p53水平来抑制细胞凋亡
Bioorg Med Chem. 2008 May 1;16(9):5171-80. doi: 10.1016/j.bmc.2008.03.011. Epub 2008 Mar 6.
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A short history of SHELX.
SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
4
Synthesis and structure-activity relationships of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide derivatives as potential agents against A549 lung cancer cells.新型1-芳基甲基-3-芳基-1H-吡唑-5-碳酰肼衍生物作为抗A549肺癌细胞潜在药物的合成及其构效关系
Bioorg Med Chem. 2007 Nov 15;15(22):6893-9. doi: 10.1016/j.bmc.2007.08.021. Epub 2007 Aug 21.
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Design, synthesis, and preliminary biological evaluation of novel ethyl 1-(2'-hydroxy-3'-aroxypropyl)-3-aryl-1H-pyrazole-5-carboxylate.新型1-(2'-羟基-3'-芳氧基丙基)-3-芳基-1H-吡唑-5-羧酸乙酯的设计、合成及初步生物学评价
Bioorg Med Chem Lett. 2006 Dec 15;16(24):6342-7. doi: 10.1016/j.bmcl.2006.09.008. Epub 2006 Sep 26.
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