Pim1/AKK1-IN-1 is a potent multi-kinase inhibitor, targeting Pim1, AKK1, MST2, LKB1, MPSK1, and TNIK. INVIVO-2275 has CAS#1093222-27-5. Currently there is no formal or code name for this molecule. For the convenience of scientific communication, we temporally name it as INVIVO-2275.

Physicochemical Properties

Molecular Formula	C20H13N5O
Molecular Weight	339.35012
Exact Mass	339.112
CAS #	1093222-27-5
Related CAS #	1093222-27-5;
PubChem CID	44588117
Appearance	White to gray solid powder
Density	1.42
LogP	4.132
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	26
Complexity	550
Defined Atom Stereocenter Count	0
InChi Key	JTSLALYXYSRPGW-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)
Chemical Name	N-[5-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
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	Pim1/AKK1-IN-1 is multiplex, having Kd values of 53 nM for AAK1 and 380 nM for LKB1 [1].
References	[1]. Assessment of chemical coverage of kinome space and its implications for kinase drug discovery. J Med Chem. 2008 Dec 25;51(24):7898-914.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~147.34 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9468 mL	14.7341 mL	29.4681 mL
	5 mM	0.5894 mL	2.9468 mL	5.8936 mL
	10 mM	0.2947 mL	1.4734 mL	2.9468 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.