CTX-712 is a potent inhibitor of cdc2-like kinase (CLK). CTX-712 inhibits CLK kinase activity, thereby inhibiting cancer survival and cancer/tumor cell growth. CTX-712 may be used for studying cancer diseases (disclosed in patent JPWO2017188374A1, compound 286).

Physicochemical Properties

Molecular Formula	C19H17FN8O2
Molecular Weight	408.39
Exact Mass	408.145
CAS #	2144751-78-8
PubChem CID	138522180
Appearance	White to off-white solid powder
LogP	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	30
Complexity	605
Defined Atom Stereocenter Count	1
SMILES	N1=C(C)N(CC2OC([C@@H](C)F)=NN=2)C2C=C(C=NC1=2)C1C=CN2C=1C(OC)=NC=N2
InChi Key	OENNTZBJPRRGFL-SNVBAGLBSA-N
InChi Code	InChI=1S/C19H17FN8O2/c1-10(20)18-26-25-15(30-18)8-27-11(2)24-17-14(27)6-12(7-21-17)13-4-5-28-16(13)19(29-3)22-9-23-28/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
Chemical Name	2-[(1R)-1-fluoroethyl]-5-[[6-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
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 and light.
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]. Fused heterocyclic compounds. Patent JPWO2017188374A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~61.22 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.12 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 (6.12 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	2.4486 mL	12.2432 mL	24.4864 mL
	5 mM	0.4897 mL	2.4486 mL	4.8973 mL
	10 mM	0.2449 mL	1.2243 mL	2.4486 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.