43049-56-5

Upstream product

• 75-44-5 phosgene 
• 1849-29-2 1,1,1-trideuteromethanol 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 811-98-3 d⁽⁴⁾-methanol 

Downstream Products

• 920757-35-3 N-([3H₃]-methoxycarbonyl)-L-tert-leucine 
• 1092539-96-2 (S)-2-(d3-methoxy-carbonylamino)-3,3-d9-dimethylbutanoic acid 
• 127107-15-7 7-methoxycarbonyl-3,5-dimethyl-4-oxo-1,2-diphenyl-6-trideuteriomethoxycarbonyl-6,7-diazabicyclo<3.2.0>hept-2-ene 

Relevant academic research and scientific papers

THE STRUCTURE OF METHYL FLUOROFORMATE FROM MICROWAVE SPECTROSCOPY AND AB INITIO CALCULATIONS

The microwave spectra of three isotopic species of methyl fluoroformate, CD3OCFO, CD2HOCFO and CH318OCFO have been measured and assigned.A barrier to internal rotation of 372+/-2 cm-1 has been obtained for three symmetric internal rotor species from internal rotation analyses.The rotational constants from five isotopic species have been used to determine an r0 structure for the s-trans conformer (methyl group trans to fluorine).The s-cis conformation is not compatible with the experimental data as the data lead to an unrealistically large COC angle.The fully optimized structure from ab initio calculations with the 6-31G* basis set which include electron correlation at the MP2 level is compared with the experimental structure and with earlier results from RHF/6-31G* calculations.

Highly sensitive GC/MS/MS method for quantitation of amino and nonamino organic acids

Metabolite profiling methods are important tools for measurement of metabolite pools in biological systems. While most metabolite profiling methods report relative intensities or depend on a few internal standards representing all metabolites, the ultimate requirement for a quantitative description of the metabolite pool in biological cells and fluids is absolute concentration determination. We report here a high-throughput and sensitive gas chromatography/tandem mass spectrometry (GC/MS/MS) targeted metabolite profiling method enabling absolute quantification of all detected metabolites. The method is based on methyl chloroformate derivatization and quantification by spiking samples with metabolite standards separately derivatized with deuterated derivatization reagents. The traditional electron impact ionization is replaced with positive chemical ionization since the latter to a much larger extent preserve the molecular ion and other high molecular weight fragments. This made it easier to select unique MS/MS transitions among the many coeluting metabolites. Currently, the novel GC/MS/MS method comprises 67 common primary metabolites of which most belong to the groups of amino and nonamino organic acids. We show the applicability of the method on urine and serum samples. The method is a significant improvement of present methodology for quantitative GC/MS metabolite profiling of amino acids and nonamino organic acids.

Preparation method of deuterated daclatasvir intermediate

The invention provides a preparation method of a deuterated daclatasvir intermediate, and particularly relates to a preparation method of N-(trideuteromethoxycarbonyl)-L-valine. According to the preparation method, the intermediate is obtained through two-step synthesis by taking CDI as an activating reagent. Compared with a triphosgene route in the prior art, the route has the advantages that the yield and the utilization rate of deuterated methanol can be improved, and meanwhile, the pollution to the environment is greatly reduced.

Diarylpyrazole compound, composition containing the same and application thereof

The invention provides a diarylpyrazole compound, a composition containing the same and application thereof. The diarylpyrazole compound is the compound shown as formula (I) or its tautomer, stereisomer, prodrug, crystal form, pharmaceutically acceptable

Compounds for inhibiting HCV (hepatitis C virus), pharmaceutical composition and application of compounds or pharmaceutical composition

The invention discloses compounds for inhibiting HCV (hepatitis C virus), pharmaceutical composition and an application of the compounds or the pharmaceutical composition. The compounds are compoundsshown in formula (I) or a stereoisomer, geometric isomer, a tautomer, an enantiomer, sulfur oxide, nitrogen oxide, hydrate, solvate, metabolite, pharmaceutically acceptable salt or prodrug of the compounds shown in formula (I); the compounds are effective antiviral drugs, especially can be used for inhibiting the function of NS5A protein encoded by the HCV, thereby effectively inhibiting the HCV.The method for preventing and/or treating drugs or diseases associated with the HCV by the compounds or the composition containing the new compounds has good market development prospects.

Deuterated of hepatitis c virus inhibitors

The invention belongs to the field of pharmaceutical chemistry, and more specifically relates to a deuterated hepatitis C virus inhibitor, a preparation method thereof, a pharmaceutical composition containing the deuterated hepatitis C virus inhibitor, and applications of the deuterated hepatitis C virus inhibitor and the pharmaceutical composition in preparing drugs used for treating hepatitis C virus infection. A compound represented by formula I possesses excellent pharmacokinetic properties, so that the compound is suitable to be used for inhibiting hepatitis C virus protein NS5A, and is suitable to be used for preparing drugs used for treating hepatitis C virus infection.

Deuterated hepatitis C virus NS5A protein inhibitor

The invention relates to the field of pharmaceutical chemistry, and specifically relates to a deuterated hepatitis C virus NS5A protein inhibitor, a preparation method thereof, a pharmaceutical composition containing the inhibitor, and applications of the inhibitor and the pharmaceutical composition thereof in preparing medicines used for treating hepatitis C virus infections. The compound represented by the formula I and pharmaceutically acceptable salt thereof have excellent pharmacokinetic properties, and thus are suitable to be used as compounds for inhibiting hepatitis C virus NS5A protein. Further, the compound and the pharmaceutically acceptable salt thereof are suitable to be used for preparing medicines used for treating hepatitis C virus infections.

Hepatitis C virus inhibitors, and pharmaceutical compositions and application thereof

The invention provides hepatitis C virus inhibitors, and pharmaceutical compositions and an application thereof, wherein the hepatitis C virus inhibitors are compounds represented by the formula (I), or crystal forms, pharmaceutically acceptable salts, hydrates or solvates thereof. The compounds have better inhibitory activity of a hepatitis C virus protein NS5A, have better pharmacodynamic/pharmacokinetic properties, have good applicability and high safety, can be used for preparing drugs for treatment of hepatitis C virus infection, and have good prospects for market development.

deuterium generation of a hepatitis c virus inhibitors

The invention discloses a compound shown in a formula I or a formula II, and a preparation method and an application thereof, wherein R represents deuterated alkane of a straight chain or a branch chain; the molecular formula is CnD2n+1; D is deuterium; a

NONEL 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES

The present invention relates to a novel derivative of Compound 1 selectively substituted with fluorine and/or deuterium and optionally further substituted with deuterium and 13C elsewhere in the molecule. The compounds of this invention are cholesterol esterase transfer protein inhibitors and possess unique biopharmaceutical and pharmacokinetic properties compared to Compound 1. They may also be used to accurately determine the concentration of Compound 1 in biological fluids and tissues and to determine metabolic patterns of Compound 1 and its isotopologues. The invention further provides compositions comprising these compounds and methods of treating diseases and conditions that are responsive to inhibition of cholesterol esterase transfer protein, alone and in combination with additional agents.