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530353 Regacin - CAS 72836-33-0 - Calbiochem

An orally bioavailable compound that specifically inhibits the DNA-binding capacity of virulence regulator, RegA (IC₅₀ = 1.7 µM in E. coli) .

Regacin - CAS 72836-33-0 - Calbiochem MSDS (material safety data sheet) or SDS, CoA and CoQ, dossiers, brochures and other available documents.

Synonyms: 5-((4-Chlorobenzyl)sulfanyl)-1,3,4-thiadiazol-2-amine, Virulence Regulator RegA Inhibitor, NSC-523933

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Overview

Replacement Information

Key Specifications Table

CAS #Empirical Formula
72836-33-0C₉H₈ClN₃S₂

Products

Catalog NumberPackaging Qty/Pack
5.30353.0001 Glass bottle 25 mg
Description
OverviewAn orally bioavailable, non-toxic, thio-thiadiazolamine compound that specifically inhibits the DNA-binding capacity of virulence regulator, RegA (IC50 = 1.7 µM in E. coli strain MC4100 (kfc-lacZ, pACYC184-regA), by interacting with amino acid residues within a conserved region of the DNA-binding domain, but without affecting RegA dimerization. Interacts with the double helix-turn-helix (HTH) domain that results in a loss of binding affinity of RegA for its DNA targets. This interaction appears to involve W188 and R223 residues that are conserved in several RegA homologs including ToxT, AggR, RegR, and Rns. Shown to be highly effective in reducing Citrobacter rodentium colonization when administered perorally to mice (~50 mg/kg) either 15 minutes before or 12 hours after bacterial inoculation. Reduces the ability of Rns and RegR to activate the transcription of their target promoters, but does not affect the activity of AggR and ToxT.

Please note that the molecular weight for this compound is batch-specific due to variable water content.
Catalogue Number530353
Brand Family Calbiochem®
Synonyms5-((4-Chlorobenzyl)sulfanyl)-1,3,4-thiadiazol-2-amine, Virulence Regulator RegA Inhibitor, NSC-523933
References
ReferencesYang, J., et al. 2013. J. Biol. Chem. 288, 31115.
Product Information
CAS number72836-33-0
FormPale yellow powder
Hill FormulaC₉H₈ClN₃S₂
Chemical formulaC₉H₈ClN₃S₂
ReversibleY
Quality LevelMQ100
Applications
Biological Information
Primary TargetRegA
Purity≥95% by HPLC
Physicochemical Information
Cell permeableY
Dimensions
Materials Information
Toxicological Information
Safety Information according to GHS
Safety Information
Product Usage Statements
Storage and Shipping Information
Ship Code Ambient Temperature Only
Toxicity Standard Handling
Storage +2°C to +8°C
Protect from Light Protect from light
Do not freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze 9-20°C). Stock solutions are stable for up to 6 months at -20°C.
Packaging Information
Packaged under inert gas Packaged under inert gas
Transport Information
Supplemental Information
Specifications
Global Trade Identification Number
Catalog Number GTIN
5.30353.00014055977260755

Documentation

Regacin - CAS 72836-33-0 - Calbiochem SDS

Title

Safety Data Sheet (SDS) 

References

Reference overview
Yang, J., et al. 2013. J. Biol. Chem. 288, 31115.
Data Sheet

Note that this data sheet is not lot-specific and is representative of the current specifications for this product. Please consult the vial label and the certificate of analysis for information on specific lots. Also note that shipping conditions may differ from storage conditions.

Revision28-April-2014 JSW
Synonyms5-((4-Chlorobenzyl)sulfanyl)-1,3,4-thiadiazol-2-amine, Virulence Regulator RegA Inhibitor, NSC-523933
DescriptionAn orally bioavailable, non-toxic, thio-thiadiazolamine compound that specifically inhibits the DNA-binding capacity of virulence regulator, RegA (IC50 = 1.7 µM in E. coli strain MC4100 (kfc-lacZ, pACYC184-regA), by interacting with amino acid residues within a conserved region of the DNA-binding domain, but without affecting RegA dimerization. Interacts with the double helix-turn-helix (HTH) domain that results in a loss of binding affinity of RegA for its DNA targets. This interaction appears to involve W188 and R223 residues that are conserved in several RegA homologs including ToxT, AggR, RegR, and Rns. Shown to be highly effective in reducing Citrobacter rodentium colonization when administered perorally to mice (~50 mg/kg) either 15 minutes before or 12 hours after bacterial inoculation. Reduces the ability of Rns and RegR to activate the transcription of their target promoters, but does not affect the activity of AggR and ToxT.
FormPale yellow powder
Intert gas (Yes/No) Packaged under inert gas
CAS number72836-33-0
Chemical formulaC₉H₈ClN₃S₂
Purity≥95% by HPLC
SolubilityDMSO (100 mg/ml)
Storage Protect from light
+2°C to +8°C
Do Not Freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze 9-20°C). Stock solutions are stable for up to 6 months at -20°C.
Toxicity Standard Handling
ReferencesYang, J., et al. 2013. J. Biol. Chem. 288, 31115.