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KIF18A-IN-13

CAT: 0804-HY-162937-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162937-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KIF18A-IN-13 (Compound 16) is an effective and orally active inhibitor of KIF18A with anticancer activity in vivo. KIF18A-IN-13 can be utilized for research in ovarian cancer[1].
CAS Number
3029503-57-6
UNSPSC
12352211
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-13.html
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(NS(=O)(CCO)=O)C=C1C2=CCC3(CC3)CC2)NC4=CC(C)=CC(N5CCC(F)(F)CC5)=N4
Molecular Formula
C28H34F2N4O4S
Molecular Weight
560.66
References & Citations
[1]Zhang C, et al. Design, Biological Characterization, and Discovery of Novel Cyclohexenyl Derivatives as Kinesin KIF18A Inhibitors for the Treatment of Ovarian Cancer[J]. ACS Medicinal Chemistry Letters, 2024.
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-13
CAS Number3029503-57-6
PubChem CID170943782
IUPAC NameN-[6-(4,4-difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]-4-(2-hydroxyethylsulfonylamino)-2-spiro[2.5]oct-6-en-6-ylbenzamide
Molecular FormulaC28H34F2N4O4S
Molecular Weight560.7
XLogP5
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity1020
SMILES
CC1=CC(=NC(=C1)N2CCC(CC2)(F)F)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)CCO)C4=CCC5(CC4)CC5
InChI
InChI=1S/C28H34F2N4O4S/c1-19-16-24(31-25(17-19)34-12-10-28(29,30)11-13-34)32-26(36)22-3-2-21(33-39(37,38)15-14-35)18-23(22)20-4-6-27(7-5-20)8-9-27/h2-4,16-18,33,35H,5-15H2,1H3,(H,31,32,36)
InChIKey
AQULSVMQCMBJRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kif18A-IN-13
CAS: 3029503-57-6
CID: 170943782
Formula: C28H34F2N4O4S
MW: 560.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.7
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass560.22688308
Monoisotopic Mass560.22688308
Topological Polar Surface Area120 Ų
Heavy Atom Count39
Formal Charge0
Complexity1020
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

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Alternative Products

CatalogName
T200612-01KIF18A-IN-13
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MBS6313229-01KIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (FITC)
MBS6313227-01KIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (APC)
MBS6313226-01KIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (AP)
037435-PEKIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (PE)
MBS6313228-01KIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (Biotin)
037435-BiotinKIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (Biotin) discontinued
037435-APKIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (AP) discontinued

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