2,6-Dichlorodiphenylamine is a structural analog of diclofenac sodium and has anti-Candida albicans activity. Diclofenac Sodium is a potent, non-selective anti-inflammatory agent and COX inhibitor (antagonist) with IC50s of 4 and 1.3 nM for human COX-1 and COX-2 in CHO cells, respectively.

Physicochemical Properties

Molecular Formula	C12H9CL2N
Molecular Weight	238.11
Exact Mass	237.011
CAS #	15307-93-4
PubChem CID	84867
Appearance	Off-white to yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	309.8±32.0 °C at 760 mmHg
Melting Point	50-53 °C(lit.)
Flash Point	141.2±25.1 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.650
LogP	4.77
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Complexity	182
Defined Atom Stereocenter Count	0
SMILES	ClC1=CC=CC(Cl)=C1NC1=CC=CC=C1
InChi Key	HDUUZPLYVVQTKN-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
Chemical Name	2,6-dichloro-N-phenylaniline
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

References

[1]. Potent Drugs That Attenuate anti-Candida Albicans Activity of Fluconazole and Their Possible Mechanisms of Action. J Infect Chemother. 2014 Oct;20(10):612-5.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (419.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (10.50 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 25.0 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: ≥ 2.5 mg/mL (10.50 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 25.0 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	4.1997 mL	20.9987 mL	41.9974 mL
	5 mM	0.8399 mL	4.1997 mL	8.3995 mL
	10 mM	0.4200 mL	2.0999 mL	4.1997 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.