13362-26-0Relevant articles and documents
Fused Pyridine Derivatives from the Wittig Reaction of some Fluorinated Amides
Latham, Elliot J.,Murphy, Steven M.,Stanforth, Stephen P.
, p. 10385 - 10388 (1995)
Compound 2 reacted with phosphorane 3 (R = Et) giving the quinoline derivative 5 whereas thiophenes 7 and 9 gave enamines 8 and 10 respectively with the appropriate phosphorane 3 (R = Me or Et).Pyridine derivative 11 yielded only ethyl 2-aminonicotinate with phosphorane 3 (R = Et).Compounds 8 and 10 gave the fused pyridine derivatives 14 and 15 respectively.
SYNTHESIS, X-RAY STRUCTURE ANALYSIS, AND VIBRATIONAL SPECTRAL STUDIES OF 1-(3-((6-BROMOPYRIDO[2,3-d]PYRIMIDIN-4-YL) OXY)PHENYL)-3-CYCLOPENTYLUREA
Huang, Z.-Y.,Liu, C.-J.,Luo, R.-S.,Mao, S.-N.,Zhou, Z.-X.
, p. 37 - 51 (2022/03/09)
Abstract: A new pyrido[2,3-d]pyrimidine derivative 1-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3-cyclopentylurea is designed and synthesized. The final structure is characterized by 1H, 13C, and 2D NMR, MS, FTIR. In addition, the crystal structure of the title compound is determined by X-ray diffraction. With the 6-311G(2d,p) basis set, the molecule is further explored using density functional theory (DFT) by the B3LYP method. The final results show that the DFT optimized structure of the title molecule is consistent with the crystal structure determined by X-ray diffraction. The Hirshfeld surface analysis and the 2D fingerprint plot are given to support the quantitative analysis of intermolecular interactions and contacts generated by supramolecular accumulation in crystals. The interactions of the title molecule are analyzed by the natural bond orbital analysis. Finally, the molecular electrostatic potential and frontier molecular orbitals are further investigated using DFT. [Figure not available: see fulltext.]
Pyrido[2,3-d]pyrimidine compound as well as preparation method and application thereof
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Paragraph 0085-0086, (2021/01/12)
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.
Synthesis, Crystal Structure, and DFT Study of a New Derivative of Pyrido[2,3-d]pyrimidine
Deng, Liyuan,Hu, Weiyin,Liao, Wanpeng,Pan, Hongyan,Sun, Hong,Zhou, Zhixu
, p. 2489 - 2496 (2022/01/22)
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.