S3QEL 2 - ≥98%(HPLC) , CAS No.890888-12-7

CAS: 890888-12-7 Cat. No.: S288139 Peso molecular: 323.44 PubChem CID: 17017624

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-(3,4-Dimethylphenyl)-N,N-dipropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1-(3, 4-Dimethylphenyl)-N, N-dipropyl-1H-pyrazolo[3, 4-d]pyrimidin-4-amine

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Suppresses superoxide production by complex III in the mitochondria without affecting normal electron flux or cellular oxidative phosphorylation (IC50= 1.7μM). Suppresses HIF-1αaccumulation and enhances survival and function of primary pancreatic isletsin

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCCN(CCC)C1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C
• IUPAC Name: 1-(3,4-dimethylphenyl)-N,N-dipropylpyrazolo[3,4-d]pyrimidin-4-amine
• InChIKey: MGIAJZSCNPODRR-UHFFFAOYSA-N
• INCHI: 1S/C19H25N5/c1-5-9-23(10-6-2)18-17-12-22-24(19(17)21-13-20-18)16-8-7-14(3)15(4)11-16/h7-8,11-13H,5-6,9-10H2,1-4H3
• Isómeros SMILES: CCCN(CCC)C1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C
• PubChem CID: 17017624
• Peso molecular: 323.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyrazolo[3,4-d]pyrimidines o-Xylenes Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - O-xylene - Xylene - Dialkylarylamine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - 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 phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 6.47, Max Conc. mM: 20 with gentle warming; Solvent:ethanol, Max Conc. mg/mL: 6.47, Max Conc. mM: 20 with gentle warming
• Peso molecular: 323.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 323.211 Da
• Monoisotopic Mass: 323.211 Da
• Topological Polar Surface Area: 46.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 384.000
• 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