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Gemfibrozil 1-O-β-glucuronide - 99%, high purity , CAS No.91683-38-4
Basic Description Synonyms AKOS027324600 | beta-D-Glucopyranuronic acid, 1-(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate) | 1-[5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoate] beta-D-Glucopyranuroic Acid | BDBM50397663 | Gemfibrozil 1-O- beta -Glucuronide | UNII-954F30WZ3Y | Gemfi Specifications & Purity ≥99% Biochemical and Physiological Mechanisms Gemfibrozil 1-O-β-Glucuronide, a metabolite of Gemfibrozil (CI-719; HY-B0258), is a potent and competitive P450 (CYP) isoform CYP2C8 inhibitor with an IC 50 of 4.07 μM. Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Product Description Gemfibrozil 1-O-β-Glucuronide, a metabolite of Gemfibrozil (CI-719; HY-B0258), is a potent and competitive P450 (CYP) isoform CYP2C8 inhibitor with an IC 50 of 4.07 μM
In Vitro
Gemfibrozil 1-O-β-Glucuronide significantly inhibits the OATP2 (OATP1B1)-mediated uptake of Cerivastatin (CER; HY-129458) with an IC 50 of 24.3 μM. Gemfibrozil 1-O-β-Glucuronide inhibits CYP2C8-mediated M1, M23 formation with IC 50 s of 5.38 μM, 4.30 μM, and has no effects for CYP2C8-mediated M3 formation. Gemfibrozil 1-O-β-Glucuronide has an IC 50 of 243 μM for the CYP3A4- mediated metabolism. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:CYP3 CYP2C8 4.07 μM (IC 50 )
Product Properties pKa pKa: 2.68 (Predicted) Ki Data CYP2C8: Ki= 20 μM (human)
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name (2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid INCHI InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1 InChi Key CJMNXSKEVNPQOK-LVEJAMMSSA-N Canonical SMILES CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O Isomeric SMILES CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O PubChem CID 88127 Molecular Weight 426.46
Chemical and Physical Properties Solubility DMSO : 100 mg/mL (234.49 mM; Need ultrasonic) Refractive Index n20D1.57 (Predicted) Boil Point(°C) ~611.2° C at 760 mmHg (Predicted) Melt Point(°C) 123-130° C
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P405: Store locked up.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P271: Use only outdoors or in a well-ventilated area.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P403+P233: Store in a well-ventilated place. Keep container tightly closed.
P362+P364: Take off contaminated clothing and wash it before reuse.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P337+P317: If eye irritation persists: Get medical help.
P332+P317: If skin irritation occurs: Get medical help.
P319: Get medical help if you feel unwell.
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