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OZO-Cl

CAT: 0931-T211750-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211750-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2201798-21-0
Target
GST
Related Pathways
Oxidation-Reduction
Bioactivity
OZO-Cl is a derivative of OZO and exhibits anticancer properties. It significantly reduces the activity of intracellular glutathione S-transferase Pi (GST) . OZO-Cl shows cytotoxic effects on cancer cell lines, with IC50 values of 150 μmol/L in Panc-1 cells and 120 μmol/L in K562 cells.
Smiles
[O-]C=1[O+]=NSC1C=2C=CC(Cl)=CC2
Molecular Formula
C8H4ClNO2S
Molecular Weight
213.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(4-Chlorophenyl)-1-oxa-3lambda4-thia-2-azacyclopenta-2,3-dien-5-one
CAS Number2201798-21-0
PubChem CID16658224
IUPAC Name4-(4-chlorophenyl)-1-oxa-3lambda4-thia-2-azacyclopenta-2,3-dien-5-one
Molecular FormulaC8H4ClNO2S
Molecular Weight213.64
XLogP3.1
Topological Polar Surface Area39.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity291
SMILES
C1=CC(=CC=C1C2=S=NOC2=O)Cl
InChI
InChI=1S/C8H4ClNO2S/c9-6-3-1-5(2-4-6)7-8(11)12-10-13-7/h1-4H
InChIKey
RQAHCLMWAOZBFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)-1-oxa-3lambda4-thia-2-azacyclopenta-2,3-dien-5-one
CAS: 2201798-21-0
CID: 16658224
Formula: C8H4ClNO2S
MW: 213.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.64
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass212.9651272
Monoisotopic Mass212.9651272
Topological Polar Surface Area39.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity291
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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