6,6′-Dithiodinicotinic acid is a sulfur-containing organic/chemical reagent, a nicotinic acid analogue, and can be used as a specific sulfhydryl blocker.

Physicochemical Properties

Molecular Formula	C12H8N2O4S2
Molecular Weight	308.33
Exact Mass	307.993
CAS #	15658-35-2
PubChem CID	85040
Appearance	White to off-white solid powder
Density	1.66g/cm3
Boiling Point	584.2ºC at 760mmHg
Melting Point	263-265 °C(lit.)
Flash Point	307.1ºC
Vapour Pressure	1.71E-14mmHg at 25°C
Index of Refraction	1.753
LogP	2.672
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	20
Complexity	335
Defined Atom Stereocenter Count	0
SMILES	S(C1C([H])=C([H])C(C(=O)O[H])=C([H])N=1)SC1C([H])=C([H])C(C(=O)O[H])=C([H])N=1
InChi Key	GSASOFRDSIKDSN-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
Chemical Name	6-[(5-carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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

References

[1]. Effects of 6,6′-dithiodinicotinic acid, a thiol reagent on several mitochondrial functions: Coupling mechanism, ATPase and anion transport.Biochemical Pharmacology.Volume 24, Issue 1, 1 January 1975, Pages 49-56.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (405.41 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.08 mg/mL (6.75 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.08 mg/mL (6.75 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2433 mL	16.2164 mL	32.4328 mL
	5 mM	0.6487 mL	3.2433 mL	6.4866 mL
	10 mM	0.3243 mL	1.6216 mL	3.2433 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.