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(R) -Naproxen acyl-β-D-glucuronide

CAT: 0013-GTR19239912-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239912-01Size:50 mg
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Description
(R) -Naproxen acyl-β-D-glucuronide is a fluorescent metabolite of the anti-inflammatory drug naproxen. It acts as a sensitive substrate for pre-glutamyl peptidase 1 (GGT1), emitting a blue fluorescent signal upon enzymatic cleavage, which facilitates its use in in vitro enzyme activity assays and metabolic pathway research.
CAS Number
112828-15-6
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@@H] (C (O[C@@H]1O[C@H] (C (O) =O) [C@@H] (O) [C@H] (O) [C@H]1O) =O) (C) C2=CC3=C (C=C (OC) C=C3) C=C2
Molecular Formula
C20H22O9
Molecular Weight
406.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-Naproxen acyl-B-D-glucuronide
CAS Number112828-15-6
PubChem CID92131904
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxyoxane-2-carboxylic acid
Molecular FormulaC20H22O9
Molecular Weight406.4
XLogP1.6
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity597
SMILES
C[C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16-,17+,20+/m1/s1
InChIKey
XRHIELLXTVJOKM-HBDUBGCQSA-N
Chemical Structure
2D Structure
2D structure of (R)-Naproxen acyl-B-D-glucuronide
CAS: 112828-15-6
CID: 92131904
Formula: C20H22O9
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass406.12638228
Monoisotopic Mass406.12638228
Topological Polar Surface Area143 Ų
Heavy Atom Count29
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
ESS0449-01(S) -Naproxen acyl-β-D-glucuronide
sc-222236(R) -Naproxen Acyl-β-D-glucuronide
007991Demethyl Naproxen Acyl-β-D-glucuronide
GC6440-1mgNaproxen-d6 acyl-β-D-glucuronide
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BICL2475Naproxen-d6 acyl-ß-D-glucuronide
AR-N01127-01Naproxen Acyl Glucuronide
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