TrkA-IN-1 is a potent and specific inhibitor of myosin-related kinase A (TrkA) with IC50 of 99 nM in a cell-based assay. TrkA-IN-1 may be used in pain relief studies.

Physicochemical Properties

Molecular Formula	C25H20N4O
Molecular Weight	392.4525
Exact Mass	392.163
CAS #	1680179-43-4
PubChem CID	117967296
Appearance	White to yellow solid powder
LogP	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	30
Complexity	570
Defined Atom Stereocenter Count	0
SMILES	O=C(N([H])C1=C([H])N=C(C([H])([H])[H])N=C1C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C1([H])C2=C([H])C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C12
InChi Key	PKOROKYRNIDSPX-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)
Chemical Name	1-(9H-fluoren-9-yl)-3-(2-methyl-4-phenylpyrimidin-5-yl)urea
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

Targets	TrkA 99 nM (IC50) TrkB 81 μM (IC50) TrkC 25 μM (IC50)
References	[1]. Structural characterization of nonactive site, TrkA-selective kinase inhibitors. Proc Natl Acad Sci U S A. 2017 Jan 17;114(3):E297-E306.

Solubility Data

Solubility (In Vitro)

DMSO: 8.33 mg/mL (21.23 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1 mg/mL (2.55 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (2.55 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 10.0 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	2.5481 mL	12.7405 mL	25.4810 mL
	5 mM	0.5096 mL	2.5481 mL	5.0962 mL
	10 mM	0.2548 mL	1.2740 mL	2.5481 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.