NVP-ACC789 - Moligand™,≥98% , CAS No.300842-64-2

CAS: 300842-64-2 Cat. No.: N649460 Peso molecular: 405.29

GRADE & PURITY Moligand™, ≥98%

Synonyms

FT-0687662 | ZK 202650 | AKOS015917936 | ZK202650 | ZK-202650 | NVP-ACC789 | NVP-ACC-789 | ACC-789;ZK202650 | DTXSID80426082 | N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine | MS-26927 | SCHEMBL1652070 | ACC789 | ACC-789 | ACC-789 (NV

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

FT-0687662 | ZK 202650 | AKOS015917936 | ZK202650 | ZK-202650 | NVP-ACC789 | NVP-ACC-789 | ACC-789;ZK202650 | DTXSID80426082 | N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine | MS-26927 | SCHEMBL1652070 | ACC789 | ACC-789 | ACC-789 (NV

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

NVP-ACC789 is an inhibitor of human VEGFR-1 , VEGFR-2 (mouse VEGFR-2 ), VEGFR-3 and PDGFR-β with IC 50 s of 0.38, 0.02 (0.23), 0.18, 1.4 μM, respectively.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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: CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)Br
• IUPAC Name: N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
• InChIKey: GXWKSXUPEFVUOO-UHFFFAOYSA-N
• INCHI: 1S/C21H17BrN4/c1-14-6-7-16(13-19(14)22)24-21-18-5-3-2-4-17(18)20(25-26-21)12-15-8-10-23-11-9-15/h2-11,13H,12H2,1H3,(H,24,26)
• Isómeros SMILES: CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)Br
• CAS alternativo: 300842-64-2
• Peso molecular: 405.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalazines
• Alternative Parents: Aniline and substituted anilines Toluenes Bromobenzenes Aminopyridazines Pyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazine - Aniline or substituted anilines - Aminopyridazine - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Secondary amine - Organobromide - Organohalogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 25 mg/mL (61.68 mM; Need ultrasonic)
• Peso molecular: 405.300 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 404.064 Da
• Monoisotopic Mass: 404.064 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 442.000
• 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