Abeprazan - ≥99% , Potassium-transporting ATPase inhibitor, CAS No.1902954-60-2, Potassium-transporting ATPase inhibitor

CAS: 1902954-60-2 Cat. No.: A648041 분자식: C₁₉H₁₇F₃N₂O₃S 분자량: 410.41 PubChem CID: 122662112

GRADE & PURITY ≥99%

Synonyms

FEXUPRAZAN [INN] | Abeprazan [INN] | AKOS040732364 | DWP14012 | DWP-14012 | MS-27067 | Abeprazan | HY-109079 | 1-[5-(2,4-difluorophenyl)-1-(3-fluorobenzene-1-sulfonyl)-4-methoxy-1H-pyrrol-3-yl]-N-methylmethanamine | 1H-Pyrrole-3-methanamine, 5-(2,4-difluo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Abeprazan (DWP14012) is a potassium-competitive acid blocker. Abeprazan inhibits H + , K + - ATPase by reversible potassium-competitive ionic binding with no acid activation required. Abeprazan is developed as a potential alternative to proton pump inhibitor for the treatment of acid-related diseases.

In Vitro

The mechanism of action of Abeprazan is reversibly binding to H + , K + ‐ATPase, and, unlike that of PPIs, does not require acidic environment for drug activation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Abeprazan inhibits acid secretion in a dose-dependent manner and the inhibition of gastric acid secretion was equal to or greater than that of vonoprazan, a previously approved P-CAB, in various in vivo studies using pylorus-ligated rats, lumen-perfused rat models and heidenhain pouch dog models . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

동의어

FEXUPRAZAN [INN] | Abeprazan [INN] | AKOS040732364 | DWP14012 | DWP-14012 | MS-27067 | Abeprazan | HY-109079 | 1-[5-(2,4-difluorophenyl)-1-(3-fluorobenzene-1-sulfonyl)-4-methoxy-1H-pyrrol-3-yl]-N-methylmethanamine | 1H-Pyrrole-3-methanamine, 5-(2,4-difluo

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Abeprazan (DWP14012) is a potassium-competitive acid blocker. Abeprazan inhibits H + , K + - ATPase by reversible potassium-competitive ionic binding with no acid activation required. Abeprazan is developed as a potential alternative to proton pump inhibi

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Potassium-transporting ATPase inhibitor

순수함

≥99%

제품 특성

• ALogP: 3.2

이름과 식별자

• 정식 스마일: CNCC1=CN(C(=C1OC)C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)F
• IUPAC Name: 1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
• InChIKey: OUNXGNDVWVPCOL-UHFFFAOYSA-N
• INCHI: 1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-5-3-4-13(20)8-15)18(19(12)27-2)16-7-6-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3
• 이성체 SMILES: CNCC1=CN(C(=C1OC)C2=C(C=C(C=C2)F)F)S(=O)(=O)C3=CC=CC(=C3)F
• 대체 CAS: 1902954-60-2
• PubChem CID: 122662112
• MeSH 용어: 1H-pyrrole-3-methanamine, 5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-N-methyl-;5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-N-methyl-1H-pyrrole-3-methanamine;abeprazan;DWP-14012;DWP14012;fexuprazan
• 분자량: 410.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrrole - Benzenesulfonamide - Benzenesulfonyl group - Aralkylamine - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 50 mg/mL (121.83 mM; Need ultrasonic)
• 분자량: 410.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 410.091 Da
• Monoisotopic Mass: 410.091 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 618.000
• 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