PF-3716556 - ≥98% , CAS No.928774-43-0

CAS: 928774-43-0 Cat. No.: E129590 Formula: C₂₂H₂₆N₄O₃ Peso molecolare: 394.47

GRADE & PURITY ≥98%

Synonyms

NCGC00346889-01 | 8-[[(4R)-3,4-Dihydro-5-methyl-2H-1- benzopyran-4-yl]amino]-N-(2-hydroxyethyl)-N,2-dimethyl-imidazo[1,2-a]pyridine-6-carboxamide | PF03716556 | PF-03716556 | Imidazo(1,2-a)pyridine-6-carboxamide, 8-(((4R)-3,4-dihydro-5-methyl-2H-1-benzopy

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

PF 3716556 è un P-CAB (bloccante acido potassio-competitivo) potente e selettivo, con pIC50 di 6,026 e 7,095 per l'inibizione dell'attività dell'H+,K+-ATPasi suina rispettivamente nel saggio ion-leaky e ion-tight, inibisce la secrezione acida gastrica, non mostra alcuna attività nei confronti della Na+,K+-ATPasi, utilizzato per il trattamento della malattia da reflusso gastroesofageo.
Inibitore altamente selettivo della H+,K+-ATPasi, più potente in condizioni di acidità.

Specifications

Sinonimi

NCGC00346889-01 | 8-[[(4R)-3,4-Dihydro-5-methyl-2H-1- benzopyran-4-yl]amino]-N-(2-hydroxyethyl)-N,2-dimethyl-imidazo[1,2-a]pyridine-6-carboxamide | PF03716556 | PF-03716556 | Imidazo(1,2-a)pyridine-6-carboxamide, 8-(((4R)-3,4-dihydro-5-methyl-2H-1-benzopy

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Inibitore della H+,K+-ATPasi (pIC50= 6 nei saggi di perdita di ioni ricombinanti umani); più potente in condizioni acide. Altamente selettivo per la H+,K+-ATPasi in vitro; non mostra alcuna attività nei confronti della Na+,K+-ATPasi. Mostra anche selettiv

Informazioni legali

Venduto solo per scopi di ricerca

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508811054
• Sorrisi canonici: CC1=C2C(CCOC2=CC=C1)NC3=CC(=CN4C3=NC(=C4)C)C(=O)N(C)CCO
• IUPAC Name: N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
• InChIKey: YBHKBMJREUZHOV-QGZVFWFLSA-N
• INCHI: 1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1
• Isomeri SMILES: CC1=C2[C@@H](CCOC2=CC=C1)NC3=CC(=CN4C3=NC(=C4)C)C(=O)N(C)CCO
• WGK Germania: 3
• Peso molecolare: 394.47
• Reaxy-Rn: 12878083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12878083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Imidazo[1,2-a]pyridines Imidazopyridines Pyridinecarboxamides Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Secondary alkylarylamines N-substituted imidazoles Benzenoids Tertiary carboxylic acid amides Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Alkanolamines Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Imidazo[1,2-a]pyridine - Imidazopyridine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Alkanolamine - Organic nitrogen compound - Primary alcohol - Alcohol - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 39.45, Max Conc. mM: 100
• Peso molecolare: 394.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 394.2 Da
• Monoisotopic Mass: 394.2 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 576.000
• 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: 1