FAK inhibitor 2 is a potent focal adhesion kinase (FAK) inhibitor (antagonist) with IC50 of 0.07 nM and has anti-tumor and anti-angiogenic activities.

Physicochemical Properties

Molecular Formula	C29H33F3N8O2S2
Molecular Weight	646.75
Exact Mass	646.211
CAS #	2354405-14-2
PubChem CID	138454791
Appearance	White to off-white solid powder
LogP	5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Heavy Atom Count	44
Complexity	961
Defined Atom Stereocenter Count	0
SMILES	N1(C(=S)SCCN(C)C)CCN(C(=O)C2=CC=C(NC3=NC=C(C(F)(F)F)C(NC4=CC=CC=C4C(NC)=O)=N3)C=C2)CC1
InChi Key	UXDPRPCEEZGHNQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C29H33F3N8O2S2/c1-33-25(41)21-6-4-5-7-23(21)36-24-22(29(30,31)32)18-34-27(37-24)35-20-10-8-19(9-11-20)26(42)39-12-14-40(15-13-39)28(43)44-17-16-38(2)3/h4-11,18H,12-17H2,1-3H3,(H,33,41)(H2,34,35,36,37)
Chemical Name	2-(dimethylamino)ethyl 4-[4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazine-1-carbodithioate
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 and light.
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	IC50: 0.07 nM (FAK)[1]
References	[1]. Discovery of 2,4-diarylaminopyrimidine derivatives bearing dithiocarbamate moiety as novel FAK inhibitors with antitumor and anti-angiogenesis activities. Eur J Med Chem. 2019 May 18;177:32-46.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (154.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.5462 mL	7.7310 mL	15.4619 mL
	5 mM	0.3092 mL	1.5462 mL	3.0924 mL
	10 mM	0.1546 mL	0.7731 mL	1.5462 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.