TFAP is a cell-permeable pyridinyl-benzamide compound that acts as a COX-1-selective inhibitor by targeting the enzyme's active site. TFAP exhibits analgesic properties in mice and rats in vivo without long-term cytotoxic effects. Unlike COX-2-inhibiting analgesics such as aspirin, TFAP is shown not to cause gastric damage in rats in vivo.

Physicochemical Properties

Molecular Formula	C13H10F3N3O
Molecular Weight	281.2332
Exact Mass	281.078
CAS #	1011244-68-0
Related CAS #	1011244-68-0;
PubChem CID	24752865
Appearance	White to off-white solid powder
LogP	3.589
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	20
Complexity	340
Defined Atom Stereocenter Count	0
InChi Key	BTCFFMPDIBWZLF-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
Chemical Name	N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide
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
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	TFAP exhibits selectivity as an inhibitor of cyclooxygenase-1 (COX-1) with an IC50 of 0.8 μM and a high IC50 against COX-2, exceeding 200 μM.
References	[1]. Identification of urine metabolites of TFAP, a cyclooxygenase-1 inhibitor. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1840-3.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 155 mg/mL (~551.15 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.58 mg/mL (9.17 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 25.8 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: ≥ 2.58 mg/mL (9.17 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 25.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 3: 2.58 mg/mL (9.17 mM) 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 25.8 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	3.5558 mL	17.7790 mL	35.5581 mL
	5 mM	0.7112 mL	3.5558 mL	7.1116 mL
	10 mM	0.3556 mL	1.7779 mL	3.5558 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.