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ZM323881 , CAS No.193001-14-8
Basic Description
Synonyms
4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol | 5-((7-(benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol | ZM323881 | ZM-323881 | CS-0986 | 4-fluoro-2-methyl-5-[[7-(phenylmethoxy)-4-quinazolinyl]amino]phenol | NCGC00161416-01 |
Biochemical and Physiological Mechanisms
ZM323881 is a potent and selective inhibitor of human vascular endothelial growth factor receptor 2 (VEGFR-2/KDR) activity. ZM323881 selectively inhibits VEGFR-2 (IC50 = 2 nM) over VEGFR-1 and a range of other receptor tyrosine kinases su
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Quinazolinamines
Alternative Parents
m-Aminophenols P-fluorophenols Ortho cresols Aniline and substituted anilines Toluenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Secondary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazolinamine - Aminophenol - 4-halophenol - O-cresol - 4-fluorophenol - Aniline or substituted anilines - M-aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Alkyl aryl ether - Toluene - Aminopyrimidine - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organofluoride - Organohalogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol
INCHI
InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
InChIKey
NVBNDZZLJRYRPD-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F
Isomeric SMILES
CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F
PubChem CID
16759369
Molecular Weight
375.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO
Molecular Weight
375.400 g/mol
XLogP3
5.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
375.138 Da
Monoisotopic Mass
375.138 Da
Topological Polar Surface Area
67.300 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
490.000
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
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