6148-64-7Relevant articles and documents
Kinetic study of the Ce(III)-, Mn(II)- or Fe(phen)32+-catalyzed Belousov-Zhabotinsky reaction with ethyl hydrogen malonate
Hsu,Jwo,Jwo
, p. 52 - 61 (2000)
In a stirred batch reaction, Fe(phen)32+ ion behaves differently from Ce(III) or Mn(II) ion in catalyzing the bromate-driven oscillating reaction with ethyl hydrogen malonate [CH2COOHCOOEt, ethyl hydrogen malonate (EHM)]. The effects of N2 atmosphere, concentrations of bromate ion, EHM, metal ion catalyst, sulfuric acid, and additive (bromide ion or bromomalonic acid) on the pattern of oscillations were investigated. The kinetic study of the reaction of EHM with Ce(IV), Mn(III), or Fe(phen)33+ ion indicates that under aerobic or anaerobic conditions the order of reactivity toward reacting with EHM is Mn(III)>Ce(IV)?Fe(phen)33+, which follows the same trend as that of the malonic acid system. The presence of the ester group in EHM lowers the reactivity of the two methylene hydrogen atoms toward bromination or oxidation by Ce(IV), Mn(III), or Fe(phen)33+ ion. No good oscillations were observed for the BrO3-CH2(COOEt)2 reaction catalyzed by Ce(III), Mn(II), or Fe(phen)32+ ion. A discussion of the effects of oxygen on the reactions of malonic acid and its derivatives (RCHCOOHCOOR′) with Mn(III), Fe(phen)33+ ion is also presented.
Structure-based linker optimization of 6-(2-cyclohexyl-1-alkyl)-2-(2-oxo-2-phenylethylsulfanyl)pyrimidin-4(3H)-ones as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Li, Daxiong,Zhang, Chunsheng,Ding, Wei,Huang, Siming,Yu, Le,Lu, Nan,Pan, Wenkai,Li, Yiming,De Clercq, Erik,Pannecouque, Christophe,Zhang, Hongbing,Wang, Yueping,He, Yanping,Chen, Fener
supporting information, p. 1020 - 1024 (2020/10/12)
In continuation of our efforts toward the discovery of potent HIV-1 NNRTIs with diverse structures, a series of novel S-DACO analogues of 6-(2-cyclohexyl-1-alkyl)-2-(2-oxo-2-phenyl-ethylsulfanyl)pyrimidin-4(3H)-ones were designed, synthesized and evaluated for their antiviral activities in MT-4 cells. Most of these new compounds showed moderate to good activities against wild type HIV-1 with IC50 values ranging from 7.55 μmol/L to 0.018 μmol/L. Among them, compound 5c was identified as the most promising inhibitor against HIV-1 replication with an IC50 = 0.018 μmol/L, CC50 = 194 μmol/L, and SI = 12791, which was much more potent than the reference drugs NVP and DLV and comparable to AZT and EFV. In addition, 5c also exhibited improved activity against double mutant HIV-1 strain RES056 compared to that of the reference drugs NVP/DLV and DB02. The preliminary structure-activity relationship (SAR) and molecular modeling studies were also discussed, which provides some useful indications for guiding the further rational design of new S-DACO analogues.
Method for preparing urea-based pyrimidone precursor
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Paragraph 0017, (2019/04/06)
The invention discloses a urea-based pyrimidone precursor compound and a synthetic method thereof. The urea-based pyrimidone precursor is an isoheptyl substituted isocytosine compound. The specific synthetic method comprises the following steps: synthesizing diethyl potassium malonate, synthesizing 2-ethylhexanoyl chloride, synthesizing beta-keto ester from the diethyl potassium malonate and 2-ethylhexanoyl chloride, and synthesizing the urea-based pyrimidone precursor from the beta-keto ester and guanidine carbonate. The urea-based pyrimidone precursor compound and the synthetic method thereof disclosed by the invention have the beneficial effects that the urea-based pyrimidone precursor provides a basic raw material for preparation of a multiple hydrogen bonding supra-molecular material,and the method is controllable in synthetic process and capable of saving resources and improving the yield, and has excellent application prospects.
