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Cibacron Blue 3G-A

Cat No.:V38074 Purity: ≥98%
Cibacron Blue 3G-A is an anthraquinone dye that can inhibit R46 β-lactamase with Ki of 1.2 uM.
Cibacron Blue 3G-A
Cibacron Blue 3G-A Chemical Structure CAS No.: 84166-13-2
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Cibacron Blue 3G-A is an anthraquinone dye that can inhibit R46 β-lactamase with Ki of 1.2 uM.
Cibacron Blue 3G-A (CAS 84166-13-2) is a synthetic anthraquinone-based dye widely used as an affinity ligand in biochemical research. It mimics nucleotide cofactors such as NAD⁺, NADP⁺, and ATP, allowing it to bind selectively to a broad range of dehydrogenases, kinases, albumin, and other nucleotide-dependent enzymes. The molecular formula is C29H20ClN7O11S3 with a molecular weight of 774.16 g/mol. It is also a P2-purinoceptor antagonist and inhibits stimulus-evoked glutamate release.
Biological Activity I Assay Protocols (From Reference)
Targets
Cibacron Blue 3G-A targets multiple proteins and enzymes. It acts as a structural analog of NADH and interacts with nucleotide-dependent enzymes, binding to their dinucleotide-binding domains. It inhibits R46 β-lactamase with a Ki of 1.2 μM. It also acts as a P2-purinoceptor antagonist and inhibits stimulus-evoked glutamate release from rat brain cortical tissue. Additionally, it binds to albumin and various kinases.
ln Vitro
Cibacron Blue 3G-A is a structural analogue of dye that interacts with enzymes that are (di)nucleotide-dependent and has the potential to be a common tool for researching their active sites. [2].
In vitro, Cibacron Blue 3G-A demonstrates multiple biological activities. It inhibits R46 β-lactamase with a Ki of 1.2 μM. As a nucleotide mimetic, it interacts with various dehydrogenases and kinases, making it a valuable tool for studying their active sites. When immobilized on solid supports such as agarose, it is used for affinity chromatography purification of enzymes. It also acts as a P2-purinoceptor antagonist.
ln Vivo
In vivo, Cibacron Blue 3G-A has been studied for its P2-purinoceptor antagonist activity, inhibiting stimulus-evoked glutamate release by rat brain cortical tissue. The compound's ability to bind to albumin may affect its distribution in vivo. Its dye properties and affinity for various proteins make it useful for studying protein-nucleotide interactions. However, it is primarily used as a research tool rather than a therapeutic agent.
Enzyme Assay
Non-cellular enzyme/receptor binding assay protocols for Cibacron Blue 3G-A involve enzyme inhibition studies. β-Lactamase inhibition can be measured using chromogenic substrates such as nitrocefin, with the Ki value determined from competition assays. Binding to dehydrogenases and kinases can be assessed by monitoring enzyme activity in the presence of the dye. Affinity chromatography applications involve immobilizing the dye on agarose or other supports and using it to purify nucleotide-binding proteins.
Cell Assay
Cellular assay protocols for Cibacron Blue 3G-A involve studying its effects on purinergic signaling. Cells expressing P2-purinoceptors can be treated with the compound, and glutamate release can be measured. The dye can also be used to study nucleotide-dependent signaling pathways. Its ability to inhibit β-lactamase can be assessed in bacterial cultures. Cellular uptake and localization can be monitored due to its chromophoric properties.
Animal Protocol
In vivo animal experiment protocols for Cibacron Blue 3G-A have been used to study its P2-purinoceptor antagonist activity. Rat brain cortical tissue has been used to measure stimulus-evoked glutamate release inhibition. The compound can be administered to animals to study its effects on purinergic signaling and neurotransmission. Tissue samples are collected for analysis of neurotransmitter levels and receptor binding studies.
ADME/Pharmacokinetics
Pharmacokinetic properties of Cibacron Blue 3G-A are not well-characterized. As a large, negatively charged molecule (MW 774.16 g/mol) with multiple sulfonic acid groups, it is expected to have poor oral bioavailability and limited cell membrane permeability. It is primarily used as an affinity ligand in vitro or immobilized on solid supports. The compound is slightly soluble in DMSO and has a predicted density of 1.845 g/cm³.
Toxicity/Toxicokinetics
Toxicity of Cibacron Blue 3G-A has not been extensively studied. As an anthraquinone dye, it may have some toxicity concerns. However, it is widely used in biochemical research as an affinity ligand. Standard toxicological evaluation would include cytotoxicity assays and assessment of potential genotoxicity. The compound is for research use only and not intended for human therapeutic applications.
References

[1]. The interaction of anthraquinone dyes with the plasmid-mediated OXA-2 beta-lactamase.Biochem J. 1982 Aug 1;205(2):413-7.

Additional Infomation
Toxicity of Cibacron Blue 3G-A has not been extensively characterized. As an anthraquinone dye, it may have some toxicity concerns. However, it is widely used in biochemical research as an affinity ligand. Standard toxicological evaluation would include cytotoxicity assays and assessment of potential genotoxicity. The compound is for research use only and not intended for human therapeutic applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C29H20CLN7O11S3
Molecular Weight
774.1574010849
Exact Mass
773.007
CAS #
84166-13-2
PubChem CID
172469
Appearance
Brown to black solid powder
Density
1.8±0.1 g/cm3
Index of Refraction
1.785
LogP
1.19
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
18
Rotatable Bond Count
9
Heavy Atom Count
51
Complexity
1640
Defined Atom Stereocenter Count
0
InChi Key
YKCWQPZFAFZLBI-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
Chemical Name
1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~62.5 mg/mL (~80.73 mM)
1M NaOH : 10 mg/mL (~12.92 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.69 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.2917 mL 6.4586 mL 12.9172 mL
5 mM 0.2583 mL 1.2917 mL 2.5834 mL
10 mM 0.1292 mL 0.6459 mL 1.2917 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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