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Esomeprazole (sodium)

CAT: 0804-HY-17023-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17023-01Size:5 mg
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Description
Esomeprazole sodium ((S) -Omeprazole sodium) is a potent and orally active proton pump inhibitor. Esomeprazole reduces acid secretion through inhibition of the H+, K+-ATPase in gastric parietal cells. Esomeprazole acts as an exosome inhibitor by blocking the exosome release via the inhibition of V-H+-ATPases[4]. Esomeprazole has the potential for symptomatic gastroesophageal reflux disease research[1][2][3].
CAS Number
161796-78-7
Product Name Alternative
(S) -Omeprazole (sodium) ; (-) -Omeprazole (sodium)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial; Proton Pump
Type
Reference compound
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel
Field of Research
Endocrinology; Cancer
Assay Protocol
https://www.medchemexpress.com/Esomeprazole-sodium.html
Purity
99.88
Solubility
DMSO : 100 mg/mL (ultrasonic) |Ethanol : 50 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
O=[S@](C1=NC2=CC(OC)=CC=C2N1[Na])CC3=NC=C(C)C(OC)=C3C
Molecular Formula
C17H18N3NaO3S
Molecular Weight
367.40
Precautions
H302, H315, H319, H335
References & Citations
[1]Wayne Goh, et al. Use of proton pump inhibitors as adjunct treatment for triple-negative breast cancers. An introductory study. J Pharm Pharm Sci. 2014;17 (3) :439-46.|[2]Christina Nelson, et al. Therapeutic Efficacy of Esomeprazole in Cotton Smoke-Induced Lung Injury Model. Front Pharmacol. 2017 Jan 26;8:16.|[3]Thomas J Johnson, et al. Esomeprazole: a clinical review. Am J Health Syst Pharm. 2002 Jul 15;59 (14) :1333-9.|[4]Huarui Zhang, et al. Advances in the discovery of exosome inhibitors in cancer. J Enzyme Inhib Med Chem. 2020 Dec;35 (1) :1322-1330.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
Launched
Citation 01
SSRN. 2025 Aug 20.|Int Immunopharmacol. 2025 Aug 13:164:115367.

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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