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

CAS: 300842-64-2 Cat. No.: N649460 Molecular Weight: 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

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)Br
• Alternate CAS: 300842-64-2
• Molecular Weight: 405.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO : 25 mg/mL (61.68 mM; Need ultrasonic)
• Molecular Weight: 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