multikinase inhibitor 1 is a potent multikinase inhibitor. multikinase inhibitor 1 may be used to cause diseases or disorders associated with abnormal or uncontrolled tyrosine kinase activity, particularly those associated with PDGF-R, c-Kit and Bcr-abl activity.

Physicochemical Properties

Molecular Formula	C20H17F3N4O3
Molecular Weight	418.3762
Exact Mass	418.125
Elemental Analysis	C, 57.42; H, 4.10; F, 13.62; N, 13.39; O, 11.47
CAS #	778274-97-8
Related CAS #	778274-97-8
PubChem CID	59983028
Appearance	Off-white to yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	615.9±55.0 °C at 760 mmHg
Flash Point	326.3±31.5 °C
Vapour Pressure	0.0±1.9 mmHg at 25°C
Index of Refraction	1.600
LogP	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	30
Complexity	536
Defined Atom Stereocenter Count	0
SMILES	FC(OC1C=CC(=CC=1)NC1=CC(C2C=CC(C(NCCO)=O)=CC=2)=NC=N1)(F)F
InChi Key	DEGDCVFNFAOIPU-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-7-5-15(6-8-16)27-18-11-17(25-12-26-18)13-1-3-14(4-2-13)19(29)24-9-10-28/h1-8,11-12,28H,9-10H2,(H,24,29)(H,25,26,27)
Chemical Name	N-(2-hydroxyethyl)-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Synonyms	INVIVO 74978; Multi-kinase inhibitor I; INVIVO-74978; INVIVO74978
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

Targets	PDGFR; Bcr-Abl
ln Vitro	Multi-kinase inhibitor 1 (compound 68) is a potent multi-kinase inhibitor. The protein kinases are a large family of proteins that are essential for maintaining control over cellular function and for regulating a wide range of cellular processes. These kinases comprise non-receptor tyrosine kinases like the fusion kinase Bcr-abl as well as receptor tyrosine kinases like the receptor kinase for stem cell factor, c-Kit, and platelet derived growth factor receptor kinase (PDGF-R)[1].
References	[1]. Novel compounds and compositions as protein kinase inhibitors. WO2004089286A2.

Solubility Data

Solubility (In Vitro)

DMSO: ~50 mg/mL (~100.2 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.98 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 25.0 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 (5.98 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	2.3902 mL	11.9509 mL	23.9017 mL
	5 mM	0.4780 mL	2.3902 mL	4.7803 mL
	10 mM	0.2390 mL	1.1951 mL	2.3902 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.