MedKoo Cat#: 574291 | Name: YHL 00997
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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).

Chemical Structure

YHL 00997
YHL 00997
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 574291

Name: YHL 00997

CAS#: NONE

Chemical Formula: C42H52F2N6Na2O13S2

Exact Mass: 996.2797

Molecular Weight: 997.00

Elemental Analysis: C, 50.60; H, 5.26; F, 3.81; N, 8.43; Na, 4.61; O, 20.86; S, 6.43

Price and Availability

Size Price Availability Quantity
1mg USD 600.00 2 weeks
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Related CAS #
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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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 997.00 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.

Recalculate based on batch purity %
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).