Introduction：Basic information about CAS 119141-88-7|Esomeprazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Esomeprazole |
|---|
| CAS Number | 119141-88-7 | Molecular Weight | 345.416 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 600.0±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C17H19N3O3S | Melting Point | / |
|---|
| MSDS | / | Flash Point | 316.7±32.9 °C |
|---|
Names
| Name | esomeprazole |
|---|
| Synonym | More Synonyms |
|---|
Esomeprazole BiologicalActivity
| Description | Esomeprazole ((S)-Omeprazole) is a potent and orally active proton pump inhibitor and reduces acid secretion through inhibition of the H+, K+-ATPase in gastric parietal cells. Esomeprazole has the potential for symptomatic gastroesophageal reflux disease research[1][2][3]. |
|---|
| Related Catalog | Research Areas >>CancerResearch Areas >>EndocrinologyResearch Areas >>Inflammation/ImmunologySignaling Pathways >>Membrane Transporter/Ion Channel >>Proton Pump |
|---|
| Target | H+, K+-ATPase[1][2] |
|---|
| In Vitro | Esomeprazole (25-100 µM; 20 hours; MDA-MB-468 cells) treatment suppresses growth of triple-negative breast cancer cell in vitro in a dose-dependent manner through increase in their intracellular acidification[1]. Cell Viability Assay[1] Cell Line: MDA-MB-468 cells Concentration: 25 µM, 50 µM, 75 µM, 100 µM Incubation Time: 20 hours Result: Suppressed growth of triple-negative breast cancer cell in vitro in a dose-dependent manner. |
|---|
| In Vivo | Esomeprazole (30-300 mg/kg; oral gavage; daily; for 19 or 11 days; C57BL/6J mice) treatment significantly inhibits the progression of fibrosis throughout the lungs of the animals. Esomeprazole also reduces circulating markers of inflammation and fibrosis[2]. Animal Model: C57BL/6J mice (8-weeks old, 25-30 g) treated with cotton smoke-induced lung injury[2] Dosage: 30 mg/kg, 300 mg/kg Administration: Oral gavage; daily; for 19 or 11 days Result: Significantly inhibited the progression of fibrosis throughout the lungs of the animals. |
|---|
| References | [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. |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 600.0±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C17H19N3O3S |
|---|
| Molecular Weight | 345.416 |
|---|
| Flash Point | 316.7±32.9 °C |
|---|
| Exact Mass | 345.114716 |
|---|
| PSA | 96.31000 |
|---|
| LogP | 2.17 |
|---|
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
|---|
| Index of Refraction | 1.669 |
|---|
| InChIKey | SUBDBMMJDZJVOS-DEOSSOPVSA-N |
|---|
| SMILES | COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 |
|---|
Safety Information
| Hazard Codes | Xn |
|---|
| HS Code | 2933990090 |
|---|
Customs
| HS Code | 2933990090 |
|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| S-enantiomer of omeprazole |
| Nexium |
| esomeprazolum |
| (-)-Omeprazole |
| (S)-(-)-Omeprazole |
| 1H-Benzimidazole, 5-methoxy-2-[(S)-[(1S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- |
| Esomeprazole (INN) |
| perprazole |
| (S)-Omeprazole |
| MFCD06798050 |
| EINECS 201-212-8 |
| 6-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole |
| [14C]-(-)-Omeprazole |
| 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- |
| (S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole |
| (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole |
| Esomeprazole |
| 5-Methoxy-2-{(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole |
| esomeprazol |
| (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole |
| (S)-Esomeprazole |
| UNII-N3PA6559FT |
| 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole |
| 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole |
