2-Amino-3-methyl-3H-imidazo[4,5-F]quinoline - ≥95% , CAS No.76180-96-6

CAS: 76180-96-6 Cat. No.: A330795 Peso molecular: 198.22 Número EC: 689-809-3

GRADE & PURITY ≥95%

Synonyms

3-Methyl-3H-imidazo[4,5-f]quinolin-2-amine | IQ

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

2-Amino-3-methyl-3H-imidazo[4,5-F]quinoline is a highly mutagenic compound in the Ames test that is present in protein pyrolysates along with other sources.

Specifications

Sinónimos

3-Methyl-3H-imidazo[4, 5-f]quinolin-2-amine | IQ

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N
• IUPAC Name: 3-methylimidazo[4,5-f]quinolin-2-amine
• InChIKey: ARZWATDYIYAUTA-UHFFFAOYSA-N
• INCHI: 1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
• Isómeros SMILES: CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N
• Peso molecular: 198.22
• Reaxy-Rn: 5014055
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5014055&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Benzimidazoles Pyridines and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzimidazole - Benzenoid - Pyridine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: imidazoquinoline

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, Hydrochloric Acid (aq) and Methanol Slightly
• Punto de fusión (°C): >292° C (dec.)
• Peso molecular: 198.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.091 Da
• Monoisotopic Mass: 198.091 Da
• Topological Polar Surface Area: 56.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• 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

Referencias

1. Shaoxuan Wang, Fei Pan, Xinyan Xu, Qian Fan, Yangyang Wang, Lei Zhao, Liang Zhao.  (2025)  Cyanidin-3-O-Glucoside Mitigates Hepatotoxicity Induced by 2-Amino-3-Methylimidazo[4,5-f]Quinoline via Endogenous and Exogenous Apoptotic Signaling Pathways: Evidence From In Vivo and In Silico Studies.  MOLECULAR NUTRITION & FOOD RESEARCH,  70  (1): (e70363).  [PMID:41452282] [10.1002/mnfr.70363]