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VEGFR-IN-3

CAT: 0804-HY-143293Size: 1 EachDry Ice: NoHazardous: No
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Description
VEGFR-IN-3 (compound 3f) is a VEGFR inhibitor. VEGFR-IN-3 inhibits OVCAR-4 and MDA-MB-468 cancer cells growth with IC50s of 0.29 and 0.35 μM, respectively. VEGFR-IN-3 can be used for the research of cancer[1].
CAS Number
2874264-13-6
UNSPSC
12352005
Target
Apoptosis; VEGFR
Type
Reference compound
Related Pathways
Apoptosis; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/vegfr-in-3.html
Solubility
10 mM in DMSO
Smiles
CC(N(C(C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC)N=C1C4=CC(OC)=C(OC)C(OC)=C4)=O
Molecular Formula
C27H28N2O6
Molecular Weight
476.52
References & Citations
[1]Hassan RA, et al. Design, synthesis and evaluation of anticancer activity of new pyrazoline derivatives by down-regulation of VEGF: Molecular docking and apoptosis inducing activity. Bioorg Chem. 2022 Jan;118:105487.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Vegfr-IN-3
CAS Number2874264-13-6
PubChem CID165412672
IUPAC Name1-[3-[4-(4-methoxyphenoxy)phenyl]-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Molecular FormulaC27H28N2O6
Molecular Weight476.5
XLogP4.1
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity702
SMILES
CC(=O)N1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC
InChI
InChI=1S/C27H28N2O6/c1-17(30)29-24(16-23(28-29)19-14-25(32-3)27(34-5)26(15-19)33-4)18-6-8-21(9-7-18)35-22-12-10-20(31-2)11-13-22/h6-15,24H,16H2,1-5H3
InChIKey
OOUJTRJSBXNCFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vegfr-IN-3
CAS: 2874264-13-6
CID: 165412672
Formula: C27H28N2O6
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass476.19473662
Monoisotopic Mass476.19473662
Topological Polar Surface Area78.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-162099VEGFR-IN-4
HY-169626VEGFR-IN-6
HY-163881VEGFR-IN-5
HY-101219-01VEGFR-IN-1
HY-P74468-01VEGFR-3/FLT4, Human (HEK293, His)

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T79588-01HCA/VEGFR-2-IN-3
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