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Esomeprazole Sodium

CAT: 0013-GTR19174742-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174742-01Size:5 mg
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Description
Esomeprazole Sodium is the (S) -enantiomer of omeprazole and functions as an irreversible proton pump inhibitor. It also acts as an exosome release inhibitor by blocking V-H+-ATPase activity, making it a useful tool for in vitro studies in gastroenterology and cancer research focused on extracellular vesicle biology.
CAS Number
161796-78-7
Product Name Alternative
Proton pump, Proton Pump, Protonpump, CYP3A4, antacid, anti-inflammation, (S) -Omeprazole sodium, (S) -Omeprazole, Omeprazole sodium, K+-ATPase, Inhibitor, inhibit, H+/K+-ATPase, fibrosis, Esomeprazole, Esomeprazole Sodium, gastroesophageal
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
98.17% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.44 mM) ; H2O:67 mg/mL (182.36 mM) ; Ethanol:68 mg/mL (185.08 mM) ; DMSO:60 mg/mL (163.31 mM)
Smiles
[Na+].COc1ccc2nc ([n-]c2c1) [S@@] (=O) Cc1ncc (C) c (OC) c1C
Molecular Formula
C17H18N3O3S·Na
Molecular Weight
367.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Esomeprazole Sodium

Esomeprazole Sodium is the sodium salt of the S-isomer of omeprazole, with gastric proton pump inhibitor activity. In the acidic compartment of parietal cells, esomeprazole is protonated and converted into the active achiral sulfenamide; the active sulfenamide forms one or more covalent disulfide bonds with the proton pump hydrogen-potassium adenosine triphosphatase (H+/K+ ATPase), thereby inhibiting its activity and the parietal cell secretion of H+ ions into the gastric lumen, the final step in gastric acid production. H+/K+ ATPase is an integral membrane protein of the gastric parietal cell.

CAS Number161796-78-7
PubChem CID23674541
IUPAC Namesodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
Molecular FormulaC17H18N3NaO3S
Molecular Weight367.4
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity459
SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Na+]
InChI
InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1/t24-;/m0./s1
InChIKey
RYXPMWYHEBGTRV-JIDHJSLPSA-N
Chemical Structure
2D Structure
2D structure of Esomeprazole Sodium
CAS: 161796-78-7
CID: 23674541
Formula: C17H18N3NaO3S
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass367.09665690
Monoisotopic Mass367.09665690
Topological Polar Surface Area81.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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