CTX-0294885 is a novel potent and broad-spectrum kinase inhibitor and a sepharose-supported kinase capture reagent which exhibits inhibitory activity against a broad range of kinases in vitro. The selectivity of CTx - 0294885 -bound beads for kinase enrichment was confirmed through the use of a quantitative proteomics approach. The identification of 235 protein kinases from MDA-MB-231 cells, including all members of the AKT family that had not previously been identified by other broad-spectrum kinase inhibitors, was made possible by large-scale CTX- 0294885 -based affinity purification and LC-MS/MS. A potent new tool for studying kinome signaling networks, CTX- 0294885 may make it easier to create individualized treatment plans.

Physicochemical Properties

Molecular Formula	C22H24CLN7O
Molecular Weight	437.93
Exact Mass	437.173
Elemental Analysis	C, 60.34; H, 5.52; Cl, 8.10; N, 22.39; O, 3.65
CAS #	1439934-41-4
Related CAS #	CTX-0294885 hydrochloride
PubChem CID	71558939
Appearance	white solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.674
LogP	2.22
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	31
Complexity	568
Defined Atom Stereocenter Count	0
SMILES	ClC1=C([H])N=C(N=C1N([H])C1=C([H])C([H])=C([H])C([H])=C1C(N([H])C([H])([H])[H])=O)N([H])C1C([H])=C([H])C(=C([H])C=1[H])N1C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]
InChi Key	FCLOIQHNUARDSR-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H24ClN7O/c1-24-21(31)17-4-2-3-5-19(17)28-20-18(23)14-26-22(29-20)27-15-6-8-16(9-7-15)30-12-10-25-11-13-30/h2-9,14,25H,10-13H2,1H3,(H,24,31)(H2,26,27,28,29)
Chemical Name	2-[[5-chloro-2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
Synonyms	CTX0294885 CTX 0294885 CTX-0294885
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

CTX-0294885 is a kinase capture tool in large-scale kinome profiling experiments, with 185 kinases identified as total protein, and 179 identified from TiO2 enrichment for phosphopeptides in MDA-MB-231 cells (by quantitative MS)[1]. CTX-0294885 captures all members of the AKT family that is not identified from previous studies using other kinase capture reagents[1].CTX-0294885 is a kinase capture tool in large-scale kinome profiling experiments, with 185 kinases identified as total protein, and 179 identified from TiO2 enrichment for phosphopeptides in MDA-MB-231 cells (by quantitative MS)[1].

References

[1]. Characterization of the novel broad-spectrum kinase inhibitor CTx-0294885 as an affinity reagent for mass spectrometry-based kinome profiling. J Proteome Res. 2013 Jul 5;12(7):3104-16.

Solubility Data

Solubility (In Vitro)

DMSO: ≥100 mg/mL (~228.4 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.71 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 (5.71 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 25.0 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	2.2835 mL	11.4173 mL	22.8347 mL
	5 mM	0.4567 mL	2.2835 mL	4.5669 mL
	10 mM	0.2283 mL	1.1417 mL	2.2835 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.