APS-2-79 - Moligand™,≥99% , CAS No.2002381-25-9

CAS: 2002381-25-9 Cat. No.: A647721 Formule: C₂₃H₂₁N₃O₃ Poids moléculaire: 387.43

GRADE & PURITY Moligand™, ≥99%

Synonyms

6,7-Dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

6,7-Dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine

Spécifications et pureté

Moligand™,≥99%

Mécanismes biochimiques et physiologiques

APS-2-79 is a KSR-dependent MEK antagonist. APS-2-79 inhibits ATP biotin binding to KSR2 within the KSR2-MEK1 complexe with an IC50 of 120 nM. APS-2-79 makes the stabilization of the KSR inactive state antagonizes oncogenic Ras-MAPK signaling.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC
• IUPAC Name: 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine
• InChIKey: PEKZLFZZBGBOPJ-UHFFFAOYSA-N
• INCHI: 1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
• CAS alternatif: 2002381-31-7
• Poids moléculaire: 387.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Quinazolinamines Diarylethers Phenoxy compounds Anisoles Aniline and substituted anilines Toluenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Quinazolinamine - Diaryl ether - Diazanaphthalene - Quinazoline - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Anisole - Toluene - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 20 mg/mL (51.62 mM; Need ultrasonic)
• Poids moléculaire: 387.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 387.158 Da
• Monoisotopic Mass: 387.158 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 502.000
• 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