WH-4-023 (also called KIN112; WH-4023; KIN-001-112) is a novel, potent, selective and orally bioactive inhibitor of Src family kinase (dual Lck/Src inhibitor) with potential anti-inflammatory and anticancer activity. It inhibits dual Lck/Src kinases with IC50s of 2 nM and 6 nM in cell-free assays, respectively. WH-4-023 increased LPS-stimulated IL-10 production and greatly suppressed proinflammatory cytokine secretion.

Physicochemical Properties

Molecular Formula	C32H36N6O4
Molecular Weight	568.67
Exact Mass	568.279
CAS #	837422-57-8
Related CAS #	837422-57-8
PubChem CID	11844351
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	743.2±70.0 °C at 760 mmHg
Flash Point	403.3±35.7 °C
Vapour Pressure	0.0±2.5 mmHg at 25°C
Index of Refraction	1.637
LogP	3.42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	42
Complexity	826
Defined Atom Stereocenter Count	0
InChi Key	NBTNHSGBRGTFJS-UHFFFAOYSA-N
InChi Code	InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)
Chemical Name	2,6-dimethylphenyl (2,4-dimethoxyphenyl)(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)carbamate
Synonyms	KIN001-112, KIN112;WH-4023;KIN-001-112, KIN-112;KIN 001-112, KIN 112;WH-4-023; WH4-023; WH 4-023; WH 4023; WH4023;
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	WH-4-023 and the 2-substituted version on Lck show comparable increases in potency [1].
ln Vivo
Animal Protocol
References	[1]. Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity. J Med Chem. 2006 Aug 10;49(16):4981-91.
Additional Infomation	N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) ester is a member of piperazines.

Solubility Data

Solubility (In Vitro)

DMSO:12 mg/mL (21.1 mM) Water:<1 mg/mL Ethanol: 6 mg/mL (10.55 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.77 mg/mL (1.35 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 7.7 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: ≥ 0.77 mg/mL (1.35 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 7.7 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	1.7585 mL	8.7924 mL	17.5849 mL
	5 mM	0.3517 mL	1.7585 mL	3.5170 mL
	10 mM	0.1758 mL	0.8792 mL	1.7585 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.