AurorKinase inhibitor-8 is a selective inhibitor of AurorKinase.

Physicochemical Properties

Molecular Formula	C30H29N7O3
Molecular Weight	535.596365690231
Exact Mass	535.233
CAS #	2133001-88-2
Related CAS #	2133001-88-2;
PubChem CID	129900111
Appearance	Off-white to light yellow solid powder
LogP	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	40
Complexity	902
Defined Atom Stereocenter Count	0
SMILES	C(NC1=CC=C(NC2=NC=C3N(C)C(=O)C4=CC(C)=CC=C4N(C)C3=N2)C=C1)(=O)C1=CC=C(NC(=O)CC)C=C1
InChi Key	KGXBCWANASZZQG-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H29N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h6-17H,5H2,1-4H3,(H,32,38)(H,33,39)(H,31,34,35)
Chemical Name	4-(propanoylamino)-N-[4-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide
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]. Characterization of a highly selective inhibitor of the Aurora kinases. Bioorg Med Chem Lett. 2017 Sep 15;27(18):4405-4408.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~46.68 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.33 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 12.5 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: ≥ 1.25 mg/mL (2.33 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	1.8671 mL	9.3353 mL	18.6706 mL
	5 mM	0.3734 mL	1.8671 mL	3.7341 mL
	10 mM	0.1867 mL	0.9335 mL	1.8671 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.