Cdc7-IN-5 (compound IB) is a potent Cdc7 kinase inhibitor. For details, check and find the document WO2019165473A1, compound IB. Cdc7 is a serine-threonine protein kinase enzyme that is critical for the initiation of DNA replication during the cell cycle.

Physicochemical Properties

Molecular Formula	C25H23N3O5
Molecular Weight	445.467226266861
Exact Mass	445.163
CAS #	1402057-86-6
PubChem CID	136367815
Appearance	Typically exists as solid at room temperature
LogP	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	33
Complexity	773
Defined Atom Stereocenter Count	0
SMILES	CCOC(=O)C1=C(OC(=C1O)/C=C/2\C=NC3=C2C=CC=N3)N4CCC5=C(C4)C=C(C=C5)OC
InChi Key	JSRLUFXDTSIAKH-FOWTUZBSSA-N
InChi Code	InChI=1S/C25H23N3O5/c1-3-32-25(30)21-22(29)20(12-16-13-27-23-19(16)5-4-9-26-23)33-24(21)28-10-8-15-6-7-18(31-2)11-17(15)14-28/h4-7,9,11-13,29H,3,8,10,14H2,1-2H3/b16-12+
Chemical Name	ethyl 4-hydroxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
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]. Methods of treatment of cancer comprising cdc7 inhibitors. WO2019165473A1.

Solubility Data

Solubility (In Vitro)

DMSO : 12.5 mg/mL (28.06 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.81 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 12.5 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	2.2448 mL	11.2241 mL	22.4482 mL
	5 mM	0.4490 mL	2.2448 mL	4.4896 mL
	10 mM	0.2245 mL	1.1224 mL	2.2448 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.