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Anticancer agent 83

CAT: 0013-GTR19186961-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186961-01Size:25 mg
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Description
Anticancer Agent 83 is a potent small molecule exhibiting a GI50 of 0.15 mM against LOX IMVI cells. Its mechanism involves disrupting mitochondrial membrane potential and inducing DNA damage, leading to apoptosis in leukemia cells. This compound is a valuable tool for investigating anticancer mechanisms in both in vitro and in vivo cancer research models.
CAS Number
904815-29-8
Field of Research
Cell Biology
Smiles
CC (C) C1=CC=C (C=C1) N1N=NC (C (=O) NC2=CC=C (SC#N) C=C2) =C1C
Molecular Formula
C20H19N5OS
Molecular Weight
377.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 83
CAS Number904815-29-8
PubChem CID9152092
IUPAC Name[4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate
Molecular FormulaC20H19N5OS
Molecular Weight377.5
XLogP4.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity546
SMILES
CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)SC#N
InChI
InChI=1S/C20H19N5OS/c1-13(2)15-4-8-17(9-5-15)25-14(3)19(23-24-25)20(26)22-16-6-10-18(11-7-16)27-12-21/h4-11,13H,1-3H3,(H,22,26)
InChIKey
YVZLYBOOUTVSFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 83
CAS: 904815-29-8
CID: 9152092
Formula: C20H19N5OS
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass377.13103142
Monoisotopic Mass377.13103142
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity546
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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