174264-50-7 Usage
Description
RALOXIFENE 6-GLUCURONIDE is a metabolite of Raloxifene, a nonsteroidal estrogen receptor mixed agonist/antagonist. It is a yellow solid that plays a significant role in various applications due to its unique chemical properties.
Uses
Used in Pharmaceutical Applications:
RALOXIFENE 6-GLUCURONIDE is used as a labelled metabolite for [application reason] to serve as a reference in the study and analysis of Raloxifene, a medication with both estrogen agonist and antagonist properties.
Used in Analytical Chemistry:
RALOXIFENE 6-GLUCURONIDE is used as an internal standard for [application reason] the quantification of Raloxifene by GCor LC-mass spectrometry, ensuring accurate and reliable measurements in the analysis of this pharmaceutical compound.
Used in Research and Development:
RALOXIFENE 6-GLUCURONIDE is used as a research compound for [application reason] understanding the metabolic pathways and pharmacokinetics of Raloxifene, which can contribute to the development of improved drug formulations and therapeutic strategies.
Check Digit Verification of cas no
The CAS Registry Mumber 174264-50-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,4,2,6 and 4 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 174264-50:
(8*1)+(7*7)+(6*4)+(5*2)+(4*6)+(3*4)+(2*5)+(1*0)=137
137 % 10 = 7
So 174264-50-7 is a valid CAS Registry Number.
InChI:InChI=1/C34H35NO10S/c36-21-8-4-20(5-9-21)32-26(27(37)19-6-10-22(11-7-19)43-17-16-35-14-2-1-3-15-35)24-13-12-23(18-25(24)46-32)44-34-30(40)28(38)29(39)31(45-34)33(41)42/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30-,31?,34+/m0/s1
174264-50-7Relevant articles and documents
Accurate prediction of glucuronidation of structurally diverse phenolics by human UGT1A9 using combined experimental and in silico approaches
Wu, Baojian,Wang, Xiaoqiang,Zhang, Shuxing,Hu, Ming
experimental part, p. 1544 - 1561 (2012/07/27)
Purpose: Catalytic selectivity of human UGT1A9, an important membrane-bound enzyme catalyzing glucuronidation of xenobiotics, was determined experimentally using 145 phenolics and analyzed by 3D-QSAR methods. Methods: Catalytic efficiency of UGT1A9 was determined by kinetic profiling. Quantitative structure activity relationships were analyzed using CoMFA and CoMSIA techniques. Molecular alignment of substrate structures was made by superimposing the glucuronidation site and its adjacent aromatic ring to achieve maximal steric overlap. For a substrate with multiple active glucuronidation sites, each site was considered a separate substrate. Results: 3D-QSAR analyses produced statistically reliable models with good predictive power (CoMFA: q 2=0.548, r2=0.949, r pred 2 =0.775; CoMSIA: q2=0.579, r2=0.876, rpred2 =0.700). Contour coefficient maps were applied to elucidate structural features among substrates that are responsible for selectivity differences. Contour coefficient maps were overlaid in the catalytic pocket of a homology model of UGT1A9, enabling identification of the UGT1A9 catalytic pocket with a high degree of confidence. Conclusion: CoMFA/CoMSIA models can predict substrate selectivity and in vitro clearance of UGT1A9. Our findings also provide a possible molecular basis for understanding UGT1A9 functions and substrate selectivity.
