2-(2H-Benzo[b][1，4]oxazin-4(3H)-yl)-N-benzyl-5，6，7，8-tetrahydroquinazolin-4-amine - Moligand™,≥98% , CAS No.1346528-06-0

CAS: 1346528-06-0 Cat. No.: Y692385 Peso molecular: 372.46

GRADE & PURITY Moligand™, ≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

ML241 is a potent, selective and competitive p97 ATPase inhibitor with an IC50 of 0.11 μM. ML241 can be used for the research of cancer.

Specifications

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5
• IUPAC Name: N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
• InChIKey: RMZPVQQGYVSLAP-UHFFFAOYSA-N
• INCHI: 1S/C23H24N4O/c1-2-8-17(9-3-1)16-24-22-18-10-4-5-11-19(18)25-23(26-22)27-14-15-28-21-13-7-6-12-20(21)27/h1-3,6-9,12-13H,4-5,10-11,14-16H2,(H,24,25,26)
• Isómeros SMILES: C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5
• CAS alternativo: 2070015-13-1
• Peso molecular: 372.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Quinazolines Benzoxazines Benzomorpholines Benzylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Benzomorpholine - Benzoxazine - Quinazoline - Benzylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Oxazinane - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Azacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 372.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 372.195 Da
• Monoisotopic Mass: 372.195 Da
• Topological Polar Surface Area: 50.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 497.000
• 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