Name: 2-[(1-Methylpropyl)dithio]-1H-imidazole - 10mM in DMSO , Thioredoxin inhibitor, CAS No.141400-58-0, Thioredoxin inhibitor
Brand: Aladdin Scientific
SKU: M421531
Availability: InStock

2-[(1-Methylpropyl)dithio]-1H-imidazole - 10mM in DMSO , Thioredoxin inhibitor, CAS No.141400-58-0, Thioredoxin inhibitor

CAS: 141400-58-0 Cat. No.: M421531 Molecular Weight: 188.31 EC Number: 689-428-2

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2-[(1-Methylpropyl)dithio]-1H-imidazole - 10mM in DMSO CAS No(141400-58-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

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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

Specifications & Purity

10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Thioredoxin inhibitor

Product Properties

ALogP	2.3

Names and Identifiers

Canonical Smiles	CCC(C)SSC1=NC=CN1
IUPAC Name	2-(butan-2-yldisulfanyl)-1H-imidazole
InChIKey	BPBPYQWMFCTCNG-UHFFFAOYSA-N
INCHI	1S/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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Not available
Direct Parent	Imidazoles
Alternative Parents	Heteroaromatic compounds Organic disulfides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)

Discover Target: TXNRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HT-29 (80576 Activities)

Molecular Weight	188.300 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	188.044 Da
Monoisotopic Mass	188.044 Da
Topological Polar Surface Area	79.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	111.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1