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

CAS: 890888-12-7 Cat. No.: S288139 分子式: C₁₉H₂₅N₅ 分子量: 323.44 PubChem CID: 17017624

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCCN(CCC)C1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C

PubChem CID

17017624

分子量

323.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: 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
• 分子量: 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