WAY-606954 - ≥95% , CAS No.748145-12-2

CAS: 748145-12-2 Cat. No.: W418184 Summenformel: C₁₈H₂₀N₄O Molekulargewicht: 308.3776 PubChem CID: 3274009

QUALITÄT & REINHEIT ≥95%

Synonyms

5H-Pyrazolo[3,4-b]quinolin-5-one, 1,4,6,7,8,9-hexahydro-3,7,7-trimethyl-4-(2-pyridinyl)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

inhibitor of GSK3 kinases

Spezifikationen

Synonyme

5H-Pyrazolo[3,4-b]quinolin-5-one, 1,4,6,7,8,9-hexahydro-3,7,7-trimethyl-4-(2-pyridinyl)-

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

ALogP

2.01

HBD-Zahl

2

Rotationsfähige Bindung

1

Namen und Kennungen

Pubchem Sid

488194342

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194342

Kanonisches Lächeln

CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CC=CC=N4

IUPAC Name

3,7,7-trimethyl-4-pyridin-2-yl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one

InChIKey

TXDQGBBBTIUCBD-UHFFFAOYSA-N

INCHI

1S/C18H20N4O/c1-10-14-16(11-6-4-5-7-19-11)15-12(20-17(14)22-21-10)8-18(2,3)9-13(15)23/h4-7,16H,8-9H2,1-3H3,(H2,20,21,22)

Isomere SMILES

CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CC=CC=N4

PubChem CID

3274009

Molekulargewicht

308.3776

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones
            • Ebene7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Pyridines and derivatives Imidolactams Pyrazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclohexenone - Pyridine - Imidolactam - Pyrazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10