Lansoprazol sulfona - Moligand™, ≥98% , CAS No.131926-99-3

CAS: 131926-99-3 Cat. No.: L132228 Peso molecular: 385.36 Número EC: 642-140-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole | AKOS000163634 | 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole | J-006088 | Lansoprazole sultone | FT-0670723 | AB02623 | BCP1

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

El lansoprazol sulfona (AG-1813) es un inhibidor oral activo y selectivo de la H+, K+-ATPasa. El lansoprazol sulfona puede estimular significativamente la secreción ácida gástrica mediante la inhibición de la H+, K+-ATPasa. La sulfona de lansoprazol tiene aplicaciones potenciales en la úlcera duodenal, la úlcera gástrica, la enfermedad por reflujo gastroesofágico y la enfermedad de Zolinger Ellison

Specifications

Sinónimos

2-(((3-Methyl-4-(2, 2, 2-trifluoroethoxy)pyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole | AKOS000163634 | 2-[[3-methyl-4-(2, 2, 2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole | J-006088 | Lansoprazole sultone | FT-0670723 | AB02623 | BCP1

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
• IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
• InChIKey: TVMJMCGRSSSSDJ-UHFFFAOYSA-N
• INCHI: 1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
• Isómeros SMILES: CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
• Peso molecular: 385.36
• Reaxy-Rn: 8793990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8793990&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Sulfinylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinylbenzimidazoles
• Alternative Parents: Methylpyridines Alkyl aryl ethers Benzenoids Sulfones Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfinylbenzimidazole - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Sulfone - Sulfonyl - Heteroaromatic compound - Ether - Azacycle - Alkyl halide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 385.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 385.071 Da
• Monoisotopic Mass: 385.071 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 582.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1