Esomeprazole sodium - ≥98% , Potassium-transporting ATPase inhibitor, CAS No.161796-78-7, Potassium-transporting ATPase inhibitor

CAS: 161796-78-7 Cat. No.: E305090 Fórmula: C₁₇H₁₈N₃NaO₃S Peso molecular: 367.41 Número CE: 620-470-6

GRADE & PURITY ≥98%

Synonyms

5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-3-ide | 5-Methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt | Sodium (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)met

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-3-ide | 5-Methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt | Sodium (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)met

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

H + / K + -ATPase (proton pump) inhibitor (IC 50 = 2.3 µM). S -enantiomer of omeprazole. Attenuates intestinal mucosal barrier damage and can promote healing of gastric lesions in rats. Also inhibits Cytochrome P450 2C19 (CYP2C9), CYP2C19 and CYP3A4

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Mecanismo de ação

Potassium-transporting ATPase inhibitor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504770818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770818
• Sorrisos canónicos: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=C(C=C3)OC.[Na+]
• IUPAC Name: sodium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-3-ide
• InChIKey: RYXPMWYHEBGTRV-JIDHJSLPSA-N
• 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
• SMILES isoméricas: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=C(C=C3)OC.[Na+]
• Peso molecular: 367.41
• Reaxy-Rn: 11512125
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11512125&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles
      • Subclass Sulfinylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Sulfinylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinylbenzimidazoles
• Alternative Parents: Anisoles Methylpyridines Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfinylbenzimidazole - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Ether - Azacycle - Organic alkali metal salt - Sulfinyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic sodium salt - Organic salt - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
• External Descriptors: Not available

Data sources

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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water; Degree of Solubility in water: 14,000 mg/l 25 °C
• Sensibilidade: light & Moisture & heat sensitive
• Ponto de ebulição (°C): 600°C
• Ponto de fusão (°C): 229 °C
• Peso molecular: 367.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 367.097 Da
• Monoisotopic Mass: 367.097 Da
• Topological Polar Surface Area: 81.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 459.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3

Referências

1. Xiao-yu Xu, Zhe-yan Zhang, Xiao-dan Zhang, Jian-chao Luo, Yun-shan Zhong, Le-hao Jin, Da-peng Dai, Jian-chang Qian.  (2024)  Critical considerations for co-administering rivaroxaban and vonoprazan: Unveiling potential pharmacokinetic interactions.  CHEMICO-BIOLOGICAL INTERACTIONS,      [PMID:39643151] [10.1016/j.cbi.2024.111342]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 161796-78-7, the molecular formula is C17H18N3NaO3S, and the molecular weight is 367.41 g/mol. InChIKey RYXPMWYHEBGTRV-JIDHJSLPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.