17834-02-5 Usage
Description
6-Hydroxywarfarin, also known as Warfarin metabolite, is a pale brown solid that is a CYP1A2/2C9 metabolite of R-warfarin and a metabolite of Warfarin in humans. It plays a significant role in the metabolism and pharmacological effects of Warfarin, a widely used anticoagulant medication.
Uses
Used in Pharmaceutical Industry:
6-Hydroxywarfarin is used as a metabolite of Warfarin for understanding the drug's metabolism and pharmacological effects in humans. It helps in the development of new anticoagulant drugs and the optimization of Warfarin therapy.
Used in Research and Development:
6-Hydroxywarfarin is used as a research compound to study the metabolic pathways and enzyme interactions involved in the metabolism of Warfarin. This information is crucial for the development of personalized medicine approaches and the identification of potential drug-drug interactions.
Used in Drug Metabolism Studies:
6-Hydroxywarfarin is used as a model compound in drug metabolism studies to investigate the role of CYP1A2 and CYP2C9 enzymes in the biotransformation of Warfarin. This knowledge is essential for understanding the factors that influence Warfarin's efficacy and safety.
Used in Quality Control and Standardization:
6-Hydroxywarfarin is used as a reference compound in the quality control and standardization of Warfarin-containing pharmaceutical products. It ensures the consistency, purity, and potency of Warfarin in various formulations.
Used in Toxicological Studies:
6-Hydroxywarfarin is used in toxicological studies to evaluate the potential toxic effects of Warfarin and its metabolites. This information is vital for assessing the safety profile of Warfarin and identifying potential adverse effects.
Used in Drug Interaction Studies:
6-Hydroxywarfarin is used in drug interaction studies to investigate the potential effects of other drugs on the metabolism of Warfarin. This information is crucial for the safe and effective use of Warfarin in combination with other medications.
Check Digit Verification of cas no
The CAS Registry Mumber 17834-02-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,8,3 and 4 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 17834-02:
(7*1)+(6*7)+(5*8)+(4*3)+(3*4)+(2*0)+(1*2)=115
115 % 10 = 5
So 17834-02-5 is a valid CAS Registry Number.
InChI:InChI=1/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3
17834-02-5Relevant articles and documents
Ion mobility spectrometry-mass spectrometry analysis for the site of aromatic hydroxy
Shimizu, Atsushi,Chiba, Masato
, p. 1295 - 1299 (2013)
Hydroxylated metabolites often retain the pharmacological activity of parent compound, and the position of hydroxylation determines the formation of chemically reactive intermediates, such as quinones and analogs, from para- and/or ortho-hydroxylation of phenols or arylamines. Therefore, the identification of exact position of hydroxylation is often required at the early development stage of new drug candidates. In many cases, liquid chromatography-tandem mass spectrometry (LC-MS/MS) provides identical MS/MS spectra among isomeric hydroxylated metabolites, and therefore, it alone cannot unequivocally identify the exact position(s) of hydroxylation. Ion mobility spectrometry (IMS), integrated with LC-MS/MS, recently showed the capability of separating isomeric species based on differences in their drift times from IMS, which are linearly proportional to the collision cross-section (CCS) reflecting physical size and shape. In the present study, a chemical derivatization of isomeric hydroxylated metabolites with 2-fluoro-N-methyl pyridinium p-toluenesulfonate was found to confer distinct theoretical CCS value on each isomer by forming corresponding N-methyl pyridine (NMP) derivative. The regression lines established by the comparison between theoretical CCS values and observed drift times from IMS for each set of parent compound (labetalol, ezetimibe, atorvastatin, and warfarin) and its MS/MS product ions accurately and selectively projected the actual drift times of NMP derivatives of corresponding aromatic or isomeric hydroxylated metabolites. The established method was used for the accurate assignment of predominant formation of 2-hydroxylated metabolite from imipramine in NADPH- fortified human liver microsomes. The present application expands the versatility of LC-IMS-MS technique to the structure identification of isomeric hydroxylated metabolites at the early stage for drug development.
