WH-4-025 is an inhibitor (blocker/antagonist) of salt-induced kinase (SIK) (WO2016023014 A2).

Physicochemical Properties

Molecular Formula	C39H38F3N7O5
Molecular Weight	741.758139133453
Exact Mass	741.288
CAS #	1876463-35-2
PubChem CID	73707529
Appearance	White to off-white solid powder
LogP	7.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	54
Complexity	1200
Defined Atom Stereocenter Count	0
SMILES	FC(C1=CC=CC(=C1)NC(C1C=CC(C)=C(C=1)OC(N(C1C=CC(=CC=1OC)OC)C1=CC=NC(=N1)NC1C=CC(=CC=1)N1CCN(C)CC1)=O)=O)(F)F
InChi Key	MWWDOHSKUDECFQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C39H38F3N7O5/c1-25-8-9-26(36(50)44-29-7-5-6-27(23-29)39(40,41)42)22-33(25)54-38(51)49(32-15-14-31(52-3)24-34(32)53-4)35-16-17-43-37(46-35)45-28-10-12-30(13-11-28)48-20-18-47(2)19-21-48/h5-17,22-24H,18-21H2,1-4H3,(H,44,50)(H,43,45,46)
Chemical Name	[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamate
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

References

[1]. USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS. Patent WO2016023014A2.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (168.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (2.80 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 20.8 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: 2.08 mg/mL (2.80 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (2.80 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 20.8 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	1.3481 mL	6.7407 mL	13.4814 mL
	5 mM	0.2696 mL	1.3481 mL	2.6963 mL
	10 mM	0.1348 mL	0.6741 mL	1.3481 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.