CMK is an RSK2 kinase inhibitor (antagonist) with similar potency but lower chemical stability than FMK.

Physicochemical Properties

Molecular Formula	C18H19CLN4O2
Molecular Weight	358.82206
Exact Mass	358.119
Elemental Analysis	C, 60.25; H, 5.34; Cl, 9.88; N, 15.61; O, 8.92
CAS #	821794-90-5
Related CAS #	FMK;821794-92-7;FMK-MEA;1414811-15-6
PubChem CID	16663089
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	647.5±55.0 °C at 760 mmHg
Flash Point	345.4±31.5 °C
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.670
LogP	1.55
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Complexity	458
Defined Atom Stereocenter Count	0
SMILES	O=C(CCl)C1N(CCCO)C2C(=C(N)N=CN=2)C=1C1C=CC(C)=CC=1
InChi Key	PELFTNQHGSITLB-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H19ClN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
Chemical Name	1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloroethanone
Synonyms	821794-90-5
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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	CMK inhibits Cdc5 (L158G) growth with an IC50 value of 36 nM, which is higher than the wild type Cdc5 IC50 of 30 μM. In the cdc5-as1 strain, CMK exhibits a concentration-dependent first cell cycle mitotic arrest with an IC50 of 1.1 μM. Anaphase I of the first cell cycle is arrested, and anaphase spindle migration is delayed as a result of CMK inhibition of Cdc5 (L158G)[1].
References	[1]. A coupled chemical-genetic and bioinformatic approach to Polo-like kinase pathway exploration. Chem Biol. 2007 Nov;14(11):1261-72.

Solubility Data

Solubility (In Vitro)

DMSO: ~150 mg/mL (~418.0 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.97 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 (6.97 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 25.0 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	2.7869 mL	13.9346 mL	27.8691 mL
	5 mM	0.5574 mL	2.7869 mL	5.5738 mL
	10 mM	0.2787 mL	1.3935 mL	2.7869 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.