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Gemfibrozil 1-O-β-glucuronide - 99%, high purity , CAS No.91683-38-4

COA

Grade & Purity:

≥99%

Cas Number: 91683-38-4
Molecular Weight: 426.46
PubChem CID: 88127

In stock

Item Number

G647264

Grouped product items
SKU	Size	Availability	Price
G647264-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90
G647264-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90
G647264-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,500.90

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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 This product requires cold chain shipping. Ground and other economy services are not available.
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 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Sugar acids and derivatives
        Level6 Glucuronic acid derivatives
        Level7 Glucuronides
        Level8 O-glucuronides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent	O-glucuronides
Alternative Parents	Hexoses p-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Beta hydroxy acids and derivatives Fatty acid esters Pyrans Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Oxacyclic compounds Carboxylic acids Acetals Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-o-glucuronide - O-glucuronide - Hexose monosaccharide - Phenoxy compound - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Pyran - Benzenoid - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Monocyclic benzene moiety - Monosaccharide - Hydroxy acid - Carboxylic acid ester - Secondary alcohol - Ether - Organoheterocyclic compound - Carboxylic acid - Acetal - Carboxylic acid derivative - Oxacycle - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

pKa	pKa: 2.68 (Predicted)
Ki Data	CYP2C8: Ki= 20 μM (human)

Associated Targets(Human)

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

Discover Target: CYP2C8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U2OS (164939 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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
InChIKey	CJMNXSKEVNPQOK-LVEJAMMSSA-N
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
Molecular Weight	426.46
Reaxy-Rn	22822346
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22822346&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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
Molecular Weight	426.500 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	426.189 Da
Monoisotopic Mass	426.189 Da
Topological Polar Surface Area	143.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	593.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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