ABT 089 dihydrochloride - ≥98%(HPLC) , CAS No.161416-61-1

CAS: 161416-61-1 Cat. No.: A287125 Molecular Weight: 265.18 EC Number: 110-203-7 PubChem CID: 23729426

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Methyl-3-[(2S)-pyrrolidinylmethoxy]pyridine dihydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Methyl-3-[(2S)-pyrrolidinylmethoxy]pyridine dihydrochloride

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

High affinity and selectiveα4β2 partial agonist (Ki= 16 nM). Exhibits >1000-fold and >10, 000-fold selectivity forα4β2 overα1β1γ1 andα7 receptors respectively. Neuroprotective against glutamate-induced toxicity in rat cortical neuronsin vitro. Enhances cog

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769723
• Canonical Smiles: CC1=C(C=CC=N1)OCC2CCCN2.Cl.Cl
• IUPAC Name: 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
• InChIKey: UGVSESCRKJTJAK-XRIOVQLTSA-N
• INCHI: 1S/C11H16N2O.2ClH/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10;;/h3,5-6,10,13H,2,4,7-8H2,1H3;2*1H/t10-;;/m0../s1
• Isomeric SMILES: CC1=C(C=CC=N1)OC[C@@H]2CCCN2.Cl.Cl
• PubChem CID: 23729426
• Molecular Weight: 265.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Methylpyridines Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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: Solvent:water, Max Conc. mg/mL: 26.52, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 5.3, Max Conc. mM: 20
• Molecular Weight: 265.180 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.08 Da
• Monoisotopic Mass: 264.08 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 175.000
• 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: 3

XLogP3