Pumaprazole（BY-841） - Moligand™, ≥99% , CAS No.158364-59-1

CAS: 158364-59-1 Cat. No.: P651635 Molecular Weight: 338.40 PubChem CID: 3052764

GRADE & PURITY Moligand™, ≥99%

Synonyms

Pumaprazole | UNII-DK95Z519WL | Methyl 2-(((2,3-dimethylimidazo(1,2-a)pyridin-8-yl)amino)methyl)-3-methylcarbanilate | 8-(2-Methoxycarbonylamino-6-methylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridine | NZQTVUWEPPDOKK-UHFFFAOYSA-N | DK95Z519WL | EX-A5362

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pumaprazole is a reversible proton pump antagonist.

In Vivo

Pumaprazole is a reversible proton pump antagonist. Basal acid secretion in the Ghosh-Schild rat is inhibited by Pumaprazole with a higher efficacy compare to ranitidine. Pumaprazole displays identical ID 50 values on day 1 (11 μmol/kg, 95% confidence limits of 5 and 23) and on day 7 (10 μmol/kg, 95% confidence limits of 4 and 23) of a repeated dose study in this model. The lower dose of Pumaprazole (27 μmol/kg) rapidly elevates luminal pH up to almost neutrality, the higher dose (54 μmol/kg) further prolongs this pH-elevating effect . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:proton pump

Specifications

Synonyms

Pumaprazole | UNII-DK95Z519WL | Methyl 2-(((2, 3-dimethylimidazo(1, 2-a)pyridin-8-yl)amino)methyl)-3-methylcarbanilate | 8-(2-Methoxycarbonylamino-6-methylbenzylamino)-2, 3-dimethylimidazo[1, 2-a]pyridine | NZQTVUWEPPDOKK-UHFFFAOYSA-N | DK95Z519WL | EX-A5362

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Pumaprazole is a reversible proton pump antagonist.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC=CN3C2=NC(=C3C)C
• IUPAC Name: methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
• InChIKey: NZQTVUWEPPDOKK-UHFFFAOYSA-N
• INCHI: 1S/C19H22N4O2/c1-12-7-5-8-16(22-19(24)25-4)15(12)11-20-17-9-6-10-23-14(3)13(2)21-18(17)23/h5-10,20H,11H2,1-4H3,(H,22,24)
• Isomeric SMILES: CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC=CN3C2=NC(=C3C)C
• Alternate CAS: 158364-59-1
• PubChem CID: 3052764
• MeSH Entry Terms: 8-(2-methoxycarbonylamino-6-methyl-phenylmethylamino)-2,3-dimethyl-imidazo (1,2-a)-pyridine;BY 841;BY-841
• Molecular Weight: 338.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Imidazopyridines Imidazo[1,2-a]pyridines Phenylmethylamines Benzylamines Toluenes Secondary alkylarylamines Aralkylamines Aminopyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylcarbamic acid ester - Imidazo[1,2-a]pyridine - Imidazopyridine - Benzylamine - Phenylmethylamine - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Toluene - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (295.51 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 338.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 338.174 Da
• Monoisotopic Mass: 338.174 Da
• Topological Polar Surface Area: 67.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 461.000
• 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