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TRi-1

CAT: 1410-M20217-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M20217-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRi-1 is irreversible inhibitor of cytosolic thioredoxin reductase 1 (TXNRD1) with an IC50 of 12 nM. TRi-1 has little mitochondrial toxicity for anticancer therapy.
CAS Number
246020-68-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
328.72
Molecular Formula
C12H9ClN2O5S
Notes
Research use only, not for human use.
Receptor
TXNRD1

Chemical Information

2-((4-Chlorophenyl)sulfonyl)-6-methoxy-3-nitropyridine
CAS Number246020-68-8
PubChem CID2801235
IUPAC Name2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitropyridine
Molecular FormulaC12H9ClN2O5S
Molecular Weight328.73
XLogP2.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
COC1=NC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClN2O5S/c1-20-11-7-6-10(15(16)17)12(14-11)21(18,19)9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKey
PRKWNRUVAZZHPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-Chlorophenyl)sulfonyl)-6-methoxy-3-nitropyridine
CAS: 246020-68-8
CID: 2801235
Formula: C12H9ClN2O5S
MW: 328.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.73
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass327.9920703
Monoisotopic Mass327.9920703
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity467
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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