CAS 254762-27-1|4'-Hydroxy diclofenac D4
Introduction：Basic information about CAS 254762-27-1|4'-Hydroxy diclofenac D4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4'-Hydroxy diclofenac D4 | ||
|---|---|---|---|
| CAS Number | 254762-27-1 | Molecular Weight | 316.17300 |
| Density | 1.54g/cm3 | Boiling Point | 432.709ºC at 760 mmHg |
| Molecular Formula | C14H7Cl2D4NO3 | Melting Point | / |
| MSDS | / | Flash Point | 215.495ºC |
Names
| Name | 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid |
|---|
4'-Hydroxy diclofenac D4 BiologicalActivity
| Description | 4'-Hydroxy diclofenac D4 is the deuterium labeled 4'-Hydroxy diclofenac. 4'-Hydroxy diclofenac is an orally active metabolite of Diclofenac (HY-15036) by cytochrome P450 2C9 (CYP2C9). 4'-Hydroxy diclofenac has anti-inflammatory and analgesic properties[1][2]. |
|---|---|
| Related Catalog | Research Areas >>Inflammation/ImmunologyResearch Areas >>Neurological Disease |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. J Shimamoto, et al. Lack of Differences in Diclofenac (A Substrate for CYP2C9) Pharmacokinetics in Healthy Volunteers With Respect to the Single CYP2C9*3 Allele. Eur J Clin Pharmacol. 2000 Apr;56(1):65-8. [3]. Hidetaka Kamimura, et al. Formation of the Accumulative Human Metabolite and Human-Specific Glutathione Conjugate of Diclofenac in TK-NOG Chimeric Mice With Humanized Livers. Drug Metab Dispos. 2015 Mar;43(3):309-16. |
Chemical & Physical Properties
| Density | 1.54g/cm3 |
|---|---|
| Boiling Point | 432.709ºC at 760 mmHg |
| Molecular Formula | C14H7Cl2D4NO3 |
| Molecular Weight | 316.17300 |
| Flash Point | 215.495ºC |
| Exact Mass | 315.03700 |
| PSA | 69.56000 |
| LogP | 4.14270 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.69 |
| InChIKey | KGVXVPRLBMWZLG-RHQRLBAQSA-N |
| SMILES | O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl |
| Storage condition | -20°C |
