10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
TRi-1 TRi-1 (HUN20688, TXNRD1 inhibitor 1) is a potent, specific and irreversible cytosolic thioredoxin reductase 1 (TXNRD1) inhibitor with IC50 of 12 nM. TRi-1 exhibits anti-cancer activity while having little mitochondrial toxicity.
| ALogP | 3.402 |
|---|---|
| Rotationsfähige Bindung | 4 |
| Pubchem Sid | 528767442 |
|---|---|
| Kanonisches Lächeln | COC1=NC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl |
| IUPAC Name | 2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitropyridine |
| InChIKey | PRKWNRUVAZZHPH-UHFFFAOYSA-N |
| 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 |
| Isomere SMILES | COC1=NC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl |
| PubChem CID | 2801235 |
| Molekulargewicht | 328.73 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Klasse | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonyl group - Nitroaromatic compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organosulfur compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
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| DMSO (mg/ml) Maximale Löslichkeit | 28 |
|---|---|
| DMSO (mM) Maximale Löslichkeit | 85.1762844887902 |
| Wasser (mg/ml) Maximale Löslichkeit | ＜1 |
| Molekulargewicht | 328.730 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 327.992 Da |
| Monoisotopic Mass | 327.992 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 467.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
