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Anticancer agent 260

CAT: 0931-T203561-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203561-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345994-70-9
Target
Reactive Oxygen Species
Related Pathways
Metabolism, NF-κB, Immunology/Inflammation
Bioactivity
Anticanceragent 260 (Compound 3g/4d) is an orally effective anticancer agent that inhibits the proliferation of cancer cells HCT-116, MIA-PaCa2, and MDA-MB231, with IC50 values of 98.7, 81.0, and 77.2 μg/mL, respectively. It also promotes ulcer formation and lipid peroxidation, and exhibits anti-inflammatory and analgesic activities.
Smiles
N=1N=C(OC1C=2C=CN=CC2)C=3C=CC=CC3C
Molecular Formula
C14H11N3O
Molecular Weight
237.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[5-(2-Methylphenyl)-1,3,4-oxadiazol-2-YL]pyridine
CAS Number345994-70-9
PubChem CID800022
IUPAC Name2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
Molecular FormulaC14H11N3O
Molecular Weight237.26
XLogP2.4
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity268
SMILES
CC1=CC=CC=C1C2=NN=C(O2)C3=CC=NC=C3
InChI
InChI=1S/C14H11N3O/c1-10-4-2-3-5-12(10)14-17-16-13(18-14)11-6-8-15-9-7-11/h2-9H,1H3
InChIKey
XAXIFEJDDFHXOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[5-(2-Methylphenyl)-1,3,4-oxadiazol-2-YL]pyridine
CAS: 345994-70-9
CID: 800022
Formula: C14H11N3O
MW: 237.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.26
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.090211983
Monoisotopic Mass237.090211983
Topological Polar Surface Area51.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity268
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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