WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 574291
Description: YHL 00997, also known as N-desmethyl Rosuvastatin sodium salt hydrate is an active metabolite of the HMG-CoA reductase inhibitor Rosuvastatin. N-desmethyl Rosuvastatin is formed when Rosuvastatin undergoes demethylation, primarily by the cytochrome P450 (CYP) isoform CYP2C9 and to a lesser extent by CYP2C19 and CYP3A4. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 574291
Name: YHL 00997
Chemical Formula: C42H52F2N6Na2O13S2
Exact Mass: 996.2797
Molecular Weight: 997.0
Elemental Analysis: C, 50.60; H, 5.26; F, 3.81; N, 8.43; Na, 4.61; O, 20.86; S, 6.43
Synonym: N-desmethyl Rosuvastatin sodium salt hydrate; YHL 00997; YHL-00997; YHL00997
IUPAC/Chemical Name: (3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid, disodium salt, monohydrate
InChi Key: YIAPWJZVDLSKPL-HTAYYFEJSA-L
InChi Code: InChI=1S/C21H26FN3O6S.2Na.H2O/c1-12(2)19-17(9-8-15(26)10-16(27)11-18(28)29)20(13-4-6-14(22)7-5-13)24-21(23-19)25-32(3,30)31;;;/h4-9,12,15-16,26-27H,10-11H2,1-3H3,(H2,23,24,25,28,29);;;1H2/q;2*+1;/p-2/b9-8+;;;/t15-,16-;;;/m1.../s1
SMILES Code: O[C@@H](C[C@@H](O)CC([O-])=O)/C=C/C(C(C1=CC=C(F)C=C1)=NC([N-][S](C)(=O)=O)=N2)=C2C(C)C.[Na+].[Na+].O
Appearance: Solid powder
Purity: >95% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 997.0 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1. Macwan, J.S., Ionita, I.A., and Akhlaghi, F. A simple assay for the simultaneous determination of rosuvastatin acid, rosuvastatin-5S-lactone, and N-desmethyl rosuvastatin in human plasma using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Anal. Bioanal. Chem. 402(3), 1217-1227 (2012).
2. Bai, X., Wang, X.P., He, G.D., et al. Simultaneous determination of rosuvastatin, rosuvastatin-5 S-lactone, and N-desmethyl rosuvastatin in human plasma by UPLC-MS/MS and its application to clinical study. Drug Res. (Stuttg.) 68(6), 328-334 (2018).