Synthesis and Crystal Structure of a Novel Ethyl 5-(4-(2-Phenylacetamido)phenyl)-1H-pyrazole-3-carboxylate as an Acrosin Inhibitor |
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Authors: | QI Jing-Jing ZHOU You-Jun LIU Xue-Fei DING Li-Li ZHENG Can-Hui SHENG Chun-Quan LV Jia-Guo ZHU Ju |
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Affiliation: | QI Jing-Jing ZHOU You-Jun LIU Xue-Fei DING Li-Li ZHENG Can-Hui SHENG Chun-Quan LV Jia-Guo ZHU Ju (Department of Medicinal Chemistry,School of Pharmacy,Second Military Medical University,Shanghai 200433,China) |
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Abstract: | The title compound (ethyl5-(4-(2-phenylacetamido)phenyl)-1H-pyrazole-3-carboxy- late, C20H19N3O3) was synthesized by the reaction of Claisen condensation, cyclization, reduction and acylation. The structure was characterized by X-ray diffraction, MS, NMR and IR. It belongs to the monoclinic system, space group C2/c with a = 22.723(9), b = 9.324(4), c = 18.890(8) , β = 114.259(6)°, V = 3649(3) 3, Dc = 1.272 Mg·m-3, Z = 8, Mr = 349.38, μ = 0.087 mm-1, F(000) = 1472, the final R = 0.0615 and wR = 0.1643. The biological test shows that the title compound has a moderate acrosin inhibition activity. |
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Keywords: | ethyl 5-(4-(2-phenylacetamido)phenyl)-1H-pyrazole-3-carboxylate crystal structure acrosin inhibitor |
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