AZ 10606120 dihydrochloride - ≥98%(HPLC) , CAS No.607378-18-7

CAS: 607378-18-7 Cat. No.: A288095 Molecular Weight: 495.48 PubChem CID: 56972227

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[2-[[2-[(2-Hydroxyethyl)amino]ethyl]amino]-5-quinolinyl]-2-tricyclo[3.3.1.13,7]dec-1-ylacetamide dihydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-[2-[[2-[(2-Hydroxyethyl)amino]ethyl]amino]-5-quinolinyl]-2-tricyclo[3.3.1.13, 7]dec-1-ylacetamide dihydrochloride

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent P2X7receptor antagonist (KDvalues are 1.4 and 19 nM at human and rat P2X7receptors respectively). Binds in a positive cooperative manner to sites distinct from, but coupled to, the ATP binding site and acts as a negative allosteric modulator. Inhib

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

ANTAGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCNCCO.Cl.Cl
• IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide;dihydrochloride
• InChIKey: BVFONFUUWORSPO-UHFFFAOYSA-N
• INCHI: 1S/C25H34N4O2.2ClH/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25;;/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31);2*1H
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCNCCO.Cl.Cl
• PubChem CID: 56972227
• Molecular Weight: 495.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: N-arylamides Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - N-arylamide - Secondary aliphatic/aromatic amine - Aminopyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid derivative - Alkanolamine - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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: 12.39, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 49.55, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 495.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 494.222 Da
• Monoisotopic Mass: 494.222 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 585.000
• 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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