KIF18A-IN-1 is an inhibitor (blocker/antagonist) of the mitotic kinesin KIF18A and has anti-tumor activity. For more details, check and find compound 100-13 from the patent WO2021026098A1.

Physicochemical Properties

Molecular Formula	C28H40N4O5S2
Molecular Weight	576.77
Exact Mass	576.244
CAS #	2600559-12-2
PubChem CID	155780856
Appearance	Off-white to light yellow solid powder
LogP	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	39
Complexity	1080
Defined Atom Stereocenter Count	0
SMILES	C(C1C=CC(S(=O)(=O)NC(C)(C)C)=CC=1N1CCC2(CC2)CC1)(=O)NC1C=CC=C(S(=O)(=O)NC(C)(C)C)C=1
InChi Key	XQJSQKALBZNWEV-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H40N4O5S2/c1-26(2,3)30-38(34,35)21-9-7-8-20(18-21)29-25(33)23-11-10-22(39(36,37)31-27(4,5)6)19-24(23)32-16-14-28(12-13-28)15-17-32/h7-11,18-19,30-31H,12-17H2,1-6H3,(H,29,33)
Chemical Name	2-(6-azaspiro[2.5]octan-6-yl)-4-(tert-butylsulfamoyl)-N-[3-(tert-butylsulfamoyl)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
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

Targets	mitotic kinesin KIF18A[1]
References	[1]. Kif18a inhibitors. WO2021026098A1.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (173.38 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.33 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 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 (4.33 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 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	1.7338 mL	8.6690 mL	17.3379 mL
	5 mM	0.3468 mL	1.7338 mL	3.4676 mL
	10 mM	0.1734 mL	0.8669 mL	1.7338 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.