Products for Research Use Only

Anticancer agent 260

CAT: 0804-HY-170527Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-170527Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Anticancer agent 260 (Compound 3g/4d) is an orally active anticancer agent, that inhibits the proliferation of cancer cell HCT-116, MIA-PaCa2 and MDA-MB231 with IC50s of 98.7, 81.0, and 77.2 µg/mL, respectively. Anticancer agent 260 exhibits promotes ulcer formation and lipid peroxidation, anti-inflammatory and analgesic efficacy[1][2].
CAS Number
345994-70-9
UNSPSC
12352005
Target
Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/anticancer-agent-260.html
Smiles
CC1=C(C=CC=C1)C2=NN=C(C3=CC=NC=C3)O2
Molecular Formula
C14H11N3O
Molecular Weight
237.26
References & Citations
[1]Gilani SJ, et al., Synthesis and pharmacological evaluation of condensed heterocyclic 6-substituted 1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazole and 1,3,4-oxadiazole derivatives of isoniazid. Bioorg Med Chem Lett. 2010 Aug 15;20 (16) :4762-5. |[2]Mutchu B R, et al. Bi (OTf) 3 PROMOTED MICROWAVE SYNTHESIS OF 2-ARYL, 5-SUBSTITUTED 1, 3, 4-OXADIAZOLES AND EVALUATION OF THEIR ANTICANCER ACTIVITY[J]. organic synthesis, 2019, 12 (4) : 2052-2057.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
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