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

CAS: 748145-12-2 Cat. No.: W418184 Formula: C₁₈H₂₀N₄O Peso molecolare: 308.3776 PubChem CID: 3274009

GRADE & PURITY ≥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

Panoramica

inhibitor of GSK3 kinases

Specifications

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Proprietà del prodotto

ALogP

2.01

Conteggio HBD

2

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

488194342

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

PubChem CID

3274009

Peso molecolare

308.3776

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10