BYK 191023 dihydrochloride - ≥99% , CAS No.1216722-25-6

CAS: 1216722-25-6 Cat. No.: B276077 Molecular Weight: 327.2 PubChem CID: 56972216

GRADE & PURITY ≥99%

Synonyms

2-[2-(4-Methoxy-2-pyridinyl)ethyl]-3H-imidazo[4,5-b]pyridinedihydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-[2-(4-Methoxy-2-pyridinyl)ethyl]-3H-imidazo[4, 5-b]pyridinedihydrochloride

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Potent, selective irreversible iNOS inhibitor (IC 50 values are 86, 17000, 162000 nM for iNOS, nNOS and eNOS respectively). Interacts with the catalytic center of the enzyme. Shows antihypotensive effects in vivo.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488201803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201803
• Canonical Smiles: COC1=CC(=NC=C1)CCC2=NC3=C(N2)C=CC=N3.Cl.Cl
• IUPAC Name: 2-[2-(4-methoxypyridin-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine;dihydrochloride
• InChIKey: ZVNITETZYOKESF-UHFFFAOYSA-N
• INCHI: 1S/C14H14N4O.2ClH/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13;;/h2-3,6-9H,4-5H2,1H3,(H,16,17,18);2*1H
• Isomeric SMILES: COC1=CC(=NC=C1)CCC2=NC3=C(N2)C=CC=N3.Cl.Cl
• PubChem CID: 56972216
• Molecular Weight: 327.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM
• Molecular Weight: 327.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 326.07 Da
• Monoisotopic Mass: 326.07 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 289.000
• 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: 3

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