2-[2-(2-Anilino-4-oxo-3,4-dihydro-quinazolin-3-yl)phen-oxy]-3-phenyl-quinazolin-4(3H)-one methanol hemisolvate.
作者： Tao Gao , Xiao-Bao Chen , Xu-Hong Yang , Xiang Wang
DOI: 10.1107/S1600536810028011
关键词: Crystal structure 、 Methanol 、 Crystallography 、 Ring (chemistry) 、 Hydrogen bond 、 Dihedral angle 、 Chemistry 、 Solvent molecule 、 Bioinformatics 、 Benzene
摘要: In the title compound, C34H23N5O3·0.5CH3OH, each pyrimidinone heterocycle and its adjacent benzene ring are almost coplanar, making dihedral angles of 0.69 (13) 1.87 (13)°. The lower pyrimidinone makes a angle 40.41 (15)° with —NH— bonded phenyl ring. O—H⋯O hydrogen bonds weak C—H⋯π interactions observed in crystal structure. methanol solvent molecule is disordered over two positions equal occupancy.
sci-hub.se 参考文章(10)
Michael S. Malamas, Jane Millen, Quinazolineacetic acids and related analogues as aldose reductase inhibitors. Journal of Medicinal Chemistry. ,vol. 34, pp. 1492- 1503 ,(1991) , 10.1021/JM00108A038
Brian D Palmer, Susanne Trumpp-Kallmeyer, David W Fry, James M Nelson, HD Hollis Showalter, William A Denny, None, Tyrosine Kinase Inhibitors. 11. Soluble Analogues of Pyrrolo- and Pyrazoloquinazolines as Epidermal Growth Factor Receptor Inhibitors: Synthesis, Biological Evaluation, and Modeling of the Mode of Binding Journal of Medicinal Chemistry. ,vol. 40, pp. 1519- 1529 ,(1997) , 10.1021/JM960789H
S.N. Pandeya, D. Sriram, G. Nath, E. De Clercq, Synthesis, antibacterial, antifungal and anti-HIV evaluation of Schiff and Mannich bases of isatin derivatives with 3-amino-2-methylmercapto quinazolin-4(3H)-one. Pharmaceutica Acta Helvetiae. ,vol. 74, pp. 11- 17 ,(1999) , 10.1016/S0031-6865(99)00010-2
Kenji Matsuno, Michio Ichimura, Takao Nakajima, Keiko Tahara, Shigeki Fujiwara, Hiroshi Kase, Junko Ushiki, Neill A. Giese, Anjali Pandey, Robert M. Scarborough, Nathalie A. Lokker, Jin-Chen Yu, Junko Irie, Eiji Tsukuda, Shin-ichi Ide, Shoji Oda, Yuji Nomoto, Potent and selective inhibitors of platelet-derived growth factor receptor phosphorylation. 1. Synthesis, structure-activity relationship, and biological effects of a new class of quinazoline derivatives. Journal of Medicinal Chemistry. ,vol. 45, pp. 3057- 3066 ,(2002) , 10.1021/JM010428O
Pei-Pei Kung, Martin D. Casper, Kimberley L. Cook, Laura Wilson-Lingardo, Lisa M. Risen, Timothy A. Vickers, Ray Ranken, Lawrence B. Blyn, Jacqueline R. Wyatt, P. Dan Cook, David J. Ecker, Structure−Activity Relationships of Novel 2-Substituted Quinazoline Antibacterial Agents Journal of Medicinal Chemistry. ,vol. 42, pp. 4705- 4713 ,(1999) , 10.1021/JM9903500
Hwei-Ru Tsou, Nellie Mamuya, Bernard D. Johnson, Marvin F. Reich, Brian C. Gruber, Fei Ye, Ramaswamy Nilakantan, Ru Shen, Carolyn Discafani, Ronald DeBlanc, Rachel Davis, Frank E. Koehn, Lee M. Greenberger, Yu-Fen Wang, Allan Wissner, 6-Substituted-4-(3-bromophenylamino)quinazolines as putative irreversible inhibitors of the epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor (HER-2) tyrosine kinases with enhanced antitumor activity. Journal of Medicinal Chemistry. ,vol. 44, pp. 2719- 2734 ,(2001) , 10.1021/JM0005555
George M. Sheldrick, A short history of SHELX Acta Crystallographica Section A. ,vol. 64, pp. 112- 122 ,(2008) , 10.1107/S0108767307043930
G. Stuhler, M. A. Davies, H. Koller, A. Mannschreck, J. Traber, The enantiomers of methaqualone and their unequal anticonvulsive activity European Journal of Medicinal Chemistry. ,vol. 19, pp. 381- 383 ,(1984)
Xu-Hong Yang, Ming-Hu Wu, Shao-Fa Sun, Jia-Li Xie, Ming-Wu Ding, Qing-Hua Xia, Synthesis of 3‐aminoalkyl‐2‐arylaminoquiazolin‐4(3H)‐ones and 3,3′‐disubstituted bis‐2‐arylaminoquinazolin‐4(3H)‐ones via reactions of 1‐aryl‐3‐(2‐ethoxycarbonylphenyl)carbodiimides with diamines Journal of Heterocyclic Chemistry. ,vol. 45, pp. 1365- 1369 ,(2008) , 10.1002/JHET.5570450518
Javier Bartroli, Enric Turmo, Mònica Algueró, Eulàlia Boncompte, Maria L. Vericat, Lourdes Conte, Joaquim Ramis, Manuel Merlos, Julián García-Rafanell, Javier Forn, New azole antifungals. 3. Synthesis and antifungal activity of 3-substituted-4(3H)-quinazolinones Journal of Medicinal Chemistry. ,vol. 41, pp. 1869- 1882 ,(1998) , 10.1021/JM9707277