KIF18A-IN-7 (Compound 22) is an orally bioactive KIF18A inhibitor that can suppress KIF18A microtubule-dependent ATPase activity with IC50 of 9.4 nM.

Physicochemical Properties

Molecular Formula	C27H35N3O5S2
Molecular Weight	545.71
Exact Mass	545.201
CAS #	2914878-00-3
PubChem CID	167493602
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	37
Complexity	1090
Defined Atom Stereocenter Count	0
SMILES	C(C1C=CC=C(C=1)S(=O)(=O)NC(C)(C)C)(N1C2=CC=C(C=C2C2(CCC3(CC3)CC2)C1)NS(=O)(=O)C)=O
InChi Key	CPAWWZCHEMFYGG-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H35N3O5S2/c1-25(2,3)29-37(34,35)21-7-5-6-19(16-21)24(31)30-18-27(14-12-26(10-11-26)13-15-27)22-17-20(8-9-23(22)30)28-36(4,32)33/h5-9,16-17,28-29H,10-15,18H2,1-4H3
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	IC50: 9.4 nM (KIF18A microtubule-dependent ATPase activity)[1]
ln Vitro	KIF18A-IN-7 (Compound 22; 7 days) has an IC50 of 0.0078, 0.0097, and 0.011 μM, respectively, that reduces the viability of JIMT-1, NIH-OVCAR3, and HCC-15 cells [1].
ln Vivo	KIF18A-IN-7 (Compound 22) suppresses the formation of HCC15 and OVCAR3 tumors in mice when given orally twice or thrice a day for a month (10–60 mg/kg) [1].
Cell Assay	Cell Viability Assay[1] Cell Types: HCC-15, JIMT-1 and NIH-OVCAR3 Tested Concentrations: Incubation Duration: 7 days Experimental Results: Inhibited cell viability with IC50s of 0.0078, 0.0097 and 0.011 μM against JIMT-1, NIH-OVCAR3 and HCC-15 cells, respectively.
Animal Protocol	Animal/Disease Models: SCID Beige mice, HCC15 tumor model[1] Doses: 10, 30 and 60 mg/kg Route of Administration: PO, twice a day for 1 month Experimental Results: Inhibited tumor growth by 30±15%, 72±6% and 82±9% at 10, 30 and 60 mg/kg, respectively. Animal/Disease Models: Balb/C nude mice, OVCAR3 tumor model[1] Doses: 10 , 30 and 60 mg/kg Route of Administration: PO, one time/day for 1 month Experimental Results: Inhibited tumor growth by 24±26%, 72±17% and 82±10% at 10, 30 and 60 mg/kg, respectively.
References	[1]. SPIRO INDOLINE INHIBITORS OF KIF18A. Patent WO2023028564.

Solubility Data

Solubility (In Vitro)

DMSO : 25 mg/mL (45.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.58 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	1.8325 mL	9.1624 mL	18.3248 mL
	5 mM	0.3665 mL	1.8325 mL	3.6650 mL
	10 mM	0.1832 mL	0.9162 mL	1.8325 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.