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VEGFR-2-IN-22

CAT: 0804-HY-147872Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147872Size:1 Each
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Description
VEGFR-2-IN-22 (Compound 25) is a dual VEGFR-2 and β-tubulin polymerization inhibitor with an IC50 of 19.82 nM against VEGFR-2. VEGFR-2-IN-22 induces apoptosis[1].
CAS Number
2447587-73-5
UNSPSC
12352005
Target
Apoptosis; Microtubule/Tubulin; VEGFR
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Cytoskeleton; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/vegfr-2-in-22.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=NN(C2=CC=C(F)C(Cl)=C2)C(C3=CC(OC)=C(OC)C(OC)=C3)=N1)NC4=CC=C(OC)C(OC)=C4
Molecular Formula
C26H24ClFN4O6
Molecular Weight
542.94
References & Citations
[1]Abdelhameid MK, et al. Design, synthesis, and cytotoxic screening of novel azole derivatives on hepatocellular carcinoma (HepG2 Cells) . Bioorg Chem. 2020 Aug;101:103995.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
VEGFR2/KDR/Flk-1

Chemical Information

Vegfr-2-IN-22
CAS Number2447587-73-5
PubChem CID164517109
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
Molecular FormulaC26H24ClFN4O6
Molecular Weight542.9
XLogP5.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity759
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)F)Cl)OC
InChI
InChI=1S/C26H24ClFN4O6/c1-34-19-9-6-15(12-20(19)35-2)29-26(33)24-30-25(32(31-24)16-7-8-18(28)17(27)13-16)14-10-21(36-3)23(38-5)22(11-14)37-4/h6-13H,1-5H3,(H,29,33)
InChIKey
URLXPPIGSRGEEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vegfr-2-IN-22
CAS: 2447587-73-5
CID: 164517109
Formula: C26H24ClFN4O6
MW: 542.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.9
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass542.1368404
Monoisotopic Mass542.1368404
Topological Polar Surface Area106 Ų
Heavy Atom Count38
Formal Charge0
Complexity759
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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CatalogName
MBS5806489VEGFR-2-IN-22
MBS668224-01VEGFR-2
BA9038-1VEGFR-2-IN-39
BA9059-5.1VEGFR-2-IN-6
BA9056-50VEGFR-2-IN-29
BA9055-10VEGFR-2-IN-37
T211536-01VEGFR-2-IN-70
T210956-01VEGFR-2-IN-69
T209429-01VEGFR-2-IN-41
T209322-01VEGFR-2-IN-42

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