2-[(1-Methylpropyl)dithio]-1H-imidazole - ≥98%(HPLC) , Thioredoxin inhibitor, CAS No.141400-58-0, Thioredoxin inhibitor

CAS: 141400-58-0 Cat. No.: P167211 Molecular Weight: 188.31 EC Number: 689-428-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
EX-A2436 | PX12 | PX-12 | PX-12 compound | BRD-A56592690-001-01-9 | HMS3747E17 | J-007491 | NCGC00346876-01 | S-BUTYL (2-IMIDAZOLYL) DISULFIDE | 2-(sec-butyldisulfanyl)-1H-imidazole. | D-Tyrosine, Vetec(TM) reagent grade, 99% | Iv 2 Compound | IV-2 compou
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P167211-5mg
7

$50.90

$76.90
Save $26.00 (33.81%)
10mg
P167211-10mg
4

$90.90

$136.90
Save $46.00 (33.60%)
25mg
P167211-25mg
3

$198.90

$298.90
Save $100.00 (33.46%)
50mg
P167211-50mg
3

$288.90

$433.90
Save $145.00 (33.42%)
100mg
P167211-100mg
3

$438.90

$658.90
Save $220.00 (33.39%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

PX 12 has been used as a thioredoxin 1 inhibitor prostate cancer cell lines to analyse its effect on cell viability. It has also been used as a hypoxia-inducible factor (HIF)-1α inhibitor to treat H2228 cells.

Specifications

Synonyms
EX-A2436 | PX12 | PX-12 | PX-12 compound | BRD-A56592690-001-01-9 | HMS3747E17 | J-007491 | NCGC00346876-01 | S-BUTYL (2-IMIDAZOLYL) DISULFIDE | 2-(sec-butyldisulfanyl)-1H-imidazole. | D-Tyrosine, Vetec(TM) reagent grade, 99% | Iv 2 Compound | IV-2 compou
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
PX-12 inhibits the thioredoxin redox system and HIF-1a activity. PX 12 inhibits hypoxia-induced HIF-1a transcriptional activity (IC50 11 nM) and proliferation of HT29 and MCF-7 tumor cells (IC50 1.9 and 0.9 uM, respectively).Irreversible, competitive Thio
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Thioredoxin inhibitor
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%(HPLC)
Product Properties
ALogP2.3
Names and Identifiers
Pubchem Sid488188638
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488188638
Canonical SmilesCCC(C)SSC1=NC=CN1
IUPAC Name2-(butan-2-yldisulfanyl)-1H-imidazole
InChIKeyBPBPYQWMFCTCNG-UHFFFAOYSA-N
INCHI1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)
Isomeric SMILES CCC(C)SSC1=NC=CN1
WGK Germany 3
Molecular Weight 188.31
Reaxy-Rn 4860913
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4860913&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Not available
Direct ParentImidazoles
Alternative Parents Heteroaromatic compounds  Organic disulfides  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Heteroaromatic compound - Imidazole - Organic disulfide - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Raji (5516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ramos (1218 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T-24 (2342 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M21 (1715 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TXN Tchem Thioredoxin (111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EMT6 (738 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEF (1005 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CT26 (928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeDateItem
E23101001Certificate of AnalysisFeb 04, 2026 P167211
E23101008Certificate of AnalysisFeb 04, 2026 P167211
E23101010Certificate of AnalysisFeb 04, 2026 P167211
E23101014Certificate of AnalysisFeb 04, 2026 P167211
E23101029Certificate of AnalysisFeb 04, 2026 P167211
E23101057Certificate of AnalysisFeb 04, 2026 P167211
E23101058Certificate of AnalysisFeb 04, 2026 P167211
E23101061Certificate of AnalysisFeb 04, 2026 P167211
E23101074Certificate of AnalysisFeb 04, 2026 P167211
E23101075Certificate of AnalysisFeb 04, 2026 P167211
K1921081Certificate of AnalysisJun 16, 2025 P167211

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Chemical and Physical Properties
SolubilityDMSO: >25 mg/mL
Molecular Weight188.300 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass188.044 Da
Monoisotopic Mass188.044 Da
Topological Polar Surface Area79.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity111.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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