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VLS-1272

CAT: 1568-C15130-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C15130-02Size:5 mg
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CAS Number
2914878-00-3
SKU
C15130-1mg
Target
Kinesin
Applications
Cytoskeletal Signaling
Molecular Formula
C27H35N3O5S2
Additionnal Information
VLS-1272 is an orally bioavailable, potent, ATP non-competitive, microtubule-dependent, and highly selective inhibitor of KIF18A with an IC50 of 41 nM. It induces mitotic defects with strong anti-mitotic, anti-cancer, and anti-proliferative effects, leading to dose-dependent tumor growth inhibition and can be used for the study of cancers with high chromosomal instability.

Chemical Information

Kif18A-IN-7
CAS Number2914878-00-3
PubChem CID167493602
Molecular FormulaC27H35N3O5S2
Molecular Weight545.7
XLogP4.2
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1090
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC3(CCC4(CC4)CC3)C5=C2C=CC(=C5)NS(=O)(=O)C
InChI
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
InChIKey
CPAWWZCHEMFYGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kif18A-IN-7
CAS: 2914878-00-3
CID: 167493602
Formula: C27H35N3O5S2
MW: 545.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight545.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass545.20181357
Monoisotopic Mass545.20181357
Topological Polar Surface Area129 Ų
Heavy Atom Count37
Formal Charge0
Complexity1090
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