NNMTi - ≥95% , CAS No.42464-96-0

CAS: 42464-96-0 Cat. No.: N288820 Molecular Weight: 286.11 PubChem CID: 66522933

GRADE & PURITY ≥95%

Synonyms

5-Amino-1MQ iodide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-Amino-1MQ iodide

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

NicotinamideN-methyltransferase (NNMT) inhibitor (IC50= 1.2 μM). Promotes myoblast differentiation in C2C12 cells. Activates senescent muscle stem cells (muSCs) and improves regenerative capacity of aged skeletal muscle. Enhances proliferation, fusion and

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.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[N+]1=CC=CC2=C(C=CC=C21)N.[I-]
• IUPAC Name: 1-methylquinolin-1-ium-5-amine;iodide
• InChIKey: JPEZFBFIRRAFNR-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2.HI/c1-12-7-3-4-8-9(11)5-2-6-10(8)12;/h2-7,11H,1H3;1H
• Isomeric SMILES: C[N+]1=CC=CC2=C(C=CC=C21)N.[I-]
• PubChem CID: 66522933
• Molecular Weight: 286.11

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: Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Primary amine - Organonitrogen compound - Amine - Organic cation - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 28.61, Max Conc. mM: 100
• Molecular Weight: 286.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 285.997 Da
• Monoisotopic Mass: 285.997 Da
• Topological Polar Surface Area: 29.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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: 2

XLogP3