Cibacron Blue 3G-A is an anthraquinone dye that can inhibit R46 β-lactamase with Ki of 1.2 uM.

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)

Biological Activity

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

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.