- Design, synthesis, anti-tumor activity, and molecular modeling of quinazoline and pyrido[2,3-d]pyrimidine derivatives targeting epidermal growth factor receptor
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Three series of novel quinazoline and pyrido[2,3-d]pyrimidine derivatives were designed, synthesized and evaluated for their ability to inhibit EGFR tyrosine kinase and a panel of five human cancer cell lines (MCF-7, A549, BT-474, SK-BR-3, and MDA-MB-231)
- Hou, Ju,Wan, Shanhe,Wang, Guangfa,Zhang, Tingting,Li, Zhonghuang,Tian, Yuanxin,Yu, Yonghuan,Wu, Xiaoyun,Zhang, Jiajie
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- Synthesis, crystal structure, and DFT study of a new pyrido[2,3-d]pyrimidine compound 1-(4-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy) phenyl)-3-(2,4-difluorophenyl)urea
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In this study, 1-(4-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3- (2,4-difluorophenyl) urea was synthesized. The structure of the compound was determined by mass spectrometry and 1H NMR, 13C NMR and FT-IR spectroscopy. The solid-state structure of the title compound was determined using single-crystal X-ray diffraction and the optimized molecular structure was determined using density functional theory calculations. The conformation of the most stable isomer that was calculated at room temperature was consistent with the conformation derived from X-ray diffraction. Hirshfeld surface analysis and 2D fingerprints were used to quantitatively analyze the intermolecular interactions and contacts in the crystal structure.
- Chai, Huifang,Deng, Liyuan,Hu, Weiyin,Liao, Tianhui,Sun, Hong,Wang, Zhongyuan,Zhao, Chunshen,Zhao, Xin,Zhou, Zhixu
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- Pyrido[2,3-d]pyrimidine compound as well as preparation method and application thereof
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The present invention discloses a pyrido[2,3-d]pyrimidine compound represented by a general formula I or a pharmaceutically acceptable salt thereof. The general formula I is shown as the specification, wherein R1 is selected from one of an alkylamine group of C1-C6, an alicyclic amine group of C1-C6, a heterocyclic amine group of C1-C6, and an aromatic amine group of C6-C8, and X represents a hydrogen atom or a halogen atom. According to the invention, in-vitro cell activity tests prove that the compound provided by the invention has antitumor activity and can be used for preparing medicines for treating and/or preventing various cancers caused by BRaf kinase mutation, such as melanoma, thyroid cancer, breast cancer, liver cancer, kidney cancer, colorectal cancer, pancreatic cancer, ovarian cancer, etc.
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- Synthesis and antitumor activity of novel pyridino[2,3-d]pyrimidine urea derivatives
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A series of novel N-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)pyrrolidine-1-carboxamide and 1-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3-propylurea derivatives were synthesized. Their antitumor activities against human breast carcinoma cells (MCF-7) and human colon cancer cells (HCT-116) in vitro were evaluated, using sorafenib as a positive control drug. Anticancer bioassays indicated that several compounds exhibited appreciable anticancer activity against MCF-7 and HCT-116 cells. Particularly, compounds 9g and 8b demonstrated the most significant inhibitory effect against HCT-116 and MCF-7 cells, with inhibition ratios of 25.56% and 26.46%, respectively. Additionally, the synthesized pyridine[2,3-d]pyrimidine derivatives containing a urea group moieties exhibited antitumor activities against MCF-7 and HCT-116 cells in vitro.
- Chen, Dongmei,Chen, Yumei,Yang, Di,Zheng, Zhaopeng,Zhou, Zhixu
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p. 1628 - 1636
(2021/05/19)
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- Synthesis, Crystal Structure, and DFT Study of a New Derivative of Pyrido[2,3-d]pyrimidine
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Abstract: N-{4-[(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy]phenyl}morpholine-4-carboxamide has been synthesized as a derivative of pyrido[2,3-d]pyrimidine that demonstrates antitumor, antibacterial, anti-inflammatory, and antimicrobial activities. Synthesis of the target compound based on 2-aminonicotinic acid as the starting material has included its esterification, bromination, cyclization, and substitution reactions. Structure of the product is confirmed by 1H and 13C NMR, FT-IR, and single-crystal X-ray diffraction (XRD). The optimized structure, electrostatic potential and frontier molecular orbitals (FMO) of the compound have been approached by DFT calculations. The compound demonstrates antiproliferative activity on A375 cells.
- Deng, Liyuan,Hu, Weiyin,Liao, Wanpeng,Pan, Hongyan,Sun, Hong,Zhou, Zhixu
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p. 2489 - 2496
(2022/01/22)
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- COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION
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The invention relates to a bromodomain inhibitor. The invention also provides compositions and formulations comprising such compounds, and methods of using and preparing such compounds.
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- Pharmacophore requirements for HIV-1 reverse transcriptase inhibitors that selectively “Freeze” the pre-translocated complex during the polymerization catalytic cycle
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Reverse transcriptase (RT) is responsible for replicating the HIV-1 genome and is a validated therapeutic target for the treatment of HIV infections. During each cycle of the RT-catalyzed DNA polymerization process, inorganic pyrophosphate is released as the by-product of nucleotide incorporation. Small molecules were identified that act as bioisosteres of pyrophosphate and can selectively freeze the catalytic cycle of HIV-1 RT at the pre-translocated stage of the DNA- or RNA-template-primer-enzyme complex.
- Lacbay, Cyrus M.,Menni, Michael,Bernatchez, Jean A.,G?tte, Matthias,Tsantrizos, Youla S.
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p. 1713 - 1726
(2018/02/27)
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- 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE
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The invention described herein comprises compounds of formula (IV) and a method of treating cancer comprising administering to a subject having cancer one of the compounds in conjunction with another therapeutic treatment of cancer. The compounds (IV) inhibit signaling by a member of the TGF-β superfamily such as Nodal or Activin.
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- Solvent-free or low-solvent large-scale preparation of chloropyrimidine and analogues
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Chloropyrimidine or other N-containing aromatic heterocyclic analogues can be efficiently prepared from the corresponding hydroxylated precursors under solvent-free or low-solvent conditions with equimolar or less chlorinating reagents. This high-yielding protocol allows successful preparations of multigram and kilogram batches of these important synthetic intermediates.
- Sun, Zhihua,Wang, Han,Wen, Kun,Li, Ya,Fan, Erkang
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experimental part
p. 4149 - 4153
(2011/07/07)
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