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

CAS: 890888-12-7 Cat. No.: S288139 Fórmula: C₁₉H₂₅N₅ Peso molecular: 323.44 PubChem CID: 17017624

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-(3,4-Dimetilfenil)-N,N-dipropil-1H-pirazolo[3,4-d]pirimidin-4-amina

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

1-(3,4-Dimetilfenil)-N,N-dipropil-1H-pirazolo[3,4-d]pirimidin-4-amina

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Suprime a produção de superóxido pelo complexo III nas mitocôndrias sem afetar o fluxo normal de electrões ou a fosforilação oxidativa celular (IC50= 1,7μM). Suprime a acumulação de HIF-1α e melhora a sobrevivência e a função das ilhotas pancreáticas prim

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%(HPLC)

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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