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VEGFR-2-IN-65

CAT: 0804-HY-169516Size: 1 EachDry Ice: NoHazardous: No
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Description
VEGFR-2-IN-65 (Compound 07) is a VEGFR-2 inhibitor. VEGFR-2-IN-65 has H-bond interactions with Cys180. VEGFR-2-IN-65 inhibits tube formation in HUVECs[1].
CAS Number
371213-22-8
UNSPSC
12352005
Target
VEGFR
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
OC1=C(C2=NNC(C3=CC(OC)=C(OC)C=C3)=C2)C=CC4=C1C=CC=C4
Molecular Formula
C21H18N2O3
Molecular Weight
346.38
References & Citations
[1]Zhang L, et al. Discovery of novel vascular endothelial growth factor receptor 2 inhibitors: a virtual screening approach. Chem Biol Drug Des. 2012 Dec;80 (6) :893-901.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
VEGFR2/KDR/Flk-1

Chemical Information

2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]naphthalen-1-ol
CAS Number371213-22-8
PubChem CID845151
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]naphthalen-1-ol
Molecular FormulaC21H18N2O3
Molecular Weight346.4
XLogP4.4
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity463
SMILES
COC1=C(C=C(C=C1)C2=NNC(=C2)C3=C(C4=CC=CC=C4C=C3)O)OC
InChI
InChI=1S/C21H18N2O3/c1-25-19-10-8-14(11-20(19)26-2)17-12-18(23-22-17)16-9-7-13-5-3-4-6-15(13)21(16)24/h3-12,24H,1-2H3,(H,22,23)
InChIKey
ICXLGEZBHYTHDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]naphthalen-1-ol
CAS: 371213-22-8
CID: 845151
Formula: C21H18N2O3
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass346.13174244
Monoisotopic Mass346.13174244
Topological Polar Surface Area67.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T205402-01VEGFR-2-IN-65
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