CRT0105950 is a potent LIMK inhibitor (antagonist) with IC50s of 0.3 nM and 1 nM for LIMK1 and LIMK2 inhibition, respectively. CRT0105950 can be used for cancer-related research.

Physicochemical Properties

Molecular Formula	C21H16CLN3OS
Molecular Weight	393.88
Exact Mass	393.07
CAS #	1661845-86-8
PubChem CID	117918970
Appearance	Light yellow to yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	556.6±60.0 °C at 760 mmHg
Flash Point	290.4±32.9 °C
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.695
LogP	4.37
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Complexity	476
Defined Atom Stereocenter Count	0
InChi Key	QYDBOFPHPMYWDO-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H16ClN3OS/c1-13-2-7-16(19(22)10-13)18-11-23-9-8-17(18)20-12-24-21(27-20)25-14-3-5-15(26)6-4-14/h2-12,26H,1H3,(H,24,25)
Chemical Name	4-[[5-[3-(2-chloro-4-methylphenyl)pyridin-4-yl]-1,3-thiazol-2-yl]amino]phenol
Synonyms	CRT0105950 CRT 0105950 CRT-0105950
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]. LIM kinase inhibitors disrupt mitotic microtubule organization and impair tumor cell proliferation. Oncotarget. 2015 Nov 17;6(36):38469-86.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~634.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.28 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 (5.28 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5388 mL	12.6942 mL	25.3884 mL
	5 mM	0.5078 mL	2.5388 mL	5.0777 mL
	10 mM	0.2539 mL	1.2694 mL	2.5388 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.