ZM 306416 - Moligand™, ≥98% , Inhibitor of epidermal growth factor receptor;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of kinase insert domain receptor, CAS No.690206-97-4, Inhibitor of epidermal growth factor receptor;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of kinase insert domain receptor

CAS: 690206-97-4 Cat. No.: Z129748 Molecular Weight: 333.74 PubChem CID: 5329006

GRADE & PURITY Moligand™, ≥98%

Synonyms

s2897 | HY-13785 | KBio2_005169 | N-(4-Chloro-2-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine | 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | C16H13ClFN3O2 | SB16593 | 4-Quinazolinamine,N-(4-chloro-2-fluorophenyl)-6,7-dimethox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ZM-306416(CB 676475) is a VEGFR inhibitor that inhibits Flk-1 (KDR) (IC50=100 nM) and Flt (IC50 =2 μM); displays 4-fold selectivity over FGFR-1; inhibitor of c-Abl, Flt-1 and Src

Specifications

Synonyms

s2897 | HY-13785 | KBio2_005169 | N-(4-Chloro-2-fluorophenyl)-6, 7-dimethoxy-4-quinazolinamine | 1-[2-[(4-Chlorophenyl)methoxy]-2-(2, 4-dichlorophenyl)ethyl]-1H-imidazole | C16H13ClFN3O2 | SB16593 | 4-Quinazolinamine, N-(4-chloro-2-fluorophenyl)-6, 7-dimethox

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Description: IC50 Value: 0.67uM(for VEGFR); 0.33±0.08uM(for Src); 1.3±0.2 μM(for Abl) ZM-306416, a vascular endothelial growth factor receptor (VEGFR) antagonist, was identified as a potent inhibitor of EGFR function [2].

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

Mechanism of action

Inhibitor of epidermal growth factor receptor;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of kinase insert domain receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OC
• IUPAC Name: N-(4-chloro-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
• InChIKey: YHUIUSRCUKUUQA-UHFFFAOYSA-N
• INCHI: 1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OC
• PubChem CID: 5329006
• Molecular Weight: 333.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aniline and substituted anilines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Azacyclic compounds Secondary amines Organopnictogen compounds Organochlorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Ether - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor (1 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FLT1 Tclin Vascular endothelial growth factor receptor 1 (0 Activities)

Discover Target: FLT1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KDR Tclin Vascular endothelial growth factor receptor 2 (1 Activities)

Discover Target: KDR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)

Discover Target: FLT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EPHB2 Tchem Ephrin type-B receptor 2 (1899 Activities)

Discover Target: EPHB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT1 Tclin Vascular endothelial growth factor receptor (287 Activities)

Discover Target: FLT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin VEGF-receptor 2 and Fibroblast growth factor receptor 1 (50 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO:3 mg/mL; ethanol:1 mg/mL, DMSO:3 mg/mL; ethanol:1 mg/mL
• Molecular Weight: 333.740 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 333.068 Da
• Monoisotopic Mass: 333.068 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 392.000
• 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