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KIF18A-IN-9

CAT: 0804-HY-162531-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162531-01Size:5 mg
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Description
KIF18A-IN-9 (Compound 1) is a potent KIF18A inhibitor, with an IC50 value of 3.8 nM. KIF18A-IN-9 has anticancer activity, with IC50 values of less than 100 nM in OVCAR3 and MDA-MB-157 cells[1].
CAS Number
3034541-82-4
UNSPSC
12352005
Target
Kinesin; Microtubule/Tubulin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/kif18a-in-9.html
Purity
95.03
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(NS(CCO)(=O)=O)C=C1N2CCC3(CC3)CC2)NC4=NC5=C(C=NN5CCC)C=C4
Molecular Formula
C25H32N6O4S
Molecular Weight
512.62
References & Citations
[1]Liu B, et al. Kif18a inhibitor. WO2024067465A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Kif18A-IN-9
CAS Number3034541-82-4
PubChem CID171714346
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(1-propylpyrazolo[5,4-b]pyridin-6-yl)benzamide
Molecular FormulaC25H32N6O4S
Molecular Weight512.6
XLogP3.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity868
SMILES
CCCN1C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)CCO)N4CCC5(CC5)CC4)C=N1
InChI
InChI=1S/C25H32N6O4S/c1-2-11-31-23-18(17-26-31)3-6-22(27-23)28-24(33)20-5-4-19(29-36(34,35)15-14-32)16-21(20)30-12-9-25(7-8-25)10-13-30/h3-6,16-17,29,32H,2,7-15H2,1H3,(H,27,28,33)
InChIKey
VMGCJSOYECFTEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kif18A-IN-9
CAS: 3034541-82-4
CID: 171714346
Formula: C25H32N6O4S
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass512.22057470
Monoisotopic Mass512.22057470
Topological Polar Surface Area138 Ų
Heavy Atom Count36
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes