YHL 00997
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MedKoo CAT#: 574291

CAS#: NONE

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).


Chemical Structure

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YHL 00997
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 574291
Name: YHL 00997
CAS#: NONE
Chemical Formula: C42H52F2N6Na2O13S2
Exact Mass: 996.28
Molecular Weight: 997.000
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

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1mg USD 550 2 weeks
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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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).