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KIF18A-IN-18

CAT: 0804-HY-180170Size: 1 EachDry Ice: NoHazardous: No
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Description
KIF18A-IN-18 (Compound I) is a KIF18A inhibitor. KIF18A-IN-18 can be used in the research of chromosomally unstable tumors[1].
CAS Number
3039911-45-7
UNSPSC
12352005
Target
Kinesin
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Field of Research
Cancer
Smiles
OCCS(NC1=CC=C(C(NC2=C(C=C3N4CCC(F)(F)C3)C4=C(OC)C=C2)=O)C(N5CCC6(CC6)CC5)=C1)(=O)=O
Molecular Formula
C29H34F2N4O5S
Molecular Weight
588.67
References & Citations
[1]Chen, et al. Crystal form, salt form, solvate, hydrate of compound and use thereof. WO2025247352A1. WIPO (PCT) . 2025-05-29.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

US20260070887, Example 478
CAS Number3039911-45-7
PubChem CID171647885
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-(8,8-difluoro-4-methoxy-7,9-dihydro-6H-pyrido[1,2-a]indol-1-yl)-4-(2-hydroxyethylsulfonylamino)benzamide
Molecular FormulaC29H34F2N4O5S
Molecular Weight588.7
XLogP4.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1060
SMILES
COC1=C2C(=C(C=C1)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)CCO)N4CCC5(CC5)CC4)C=C6N2CCC(C6)(F)F
InChI
InChI=1S/C29H34F2N4O5S/c1-40-25-5-4-23(22-17-20-18-29(30,31)10-13-35(20)26(22)25)32-27(37)21-3-2-19(33-41(38,39)15-14-36)16-24(21)34-11-8-28(6-7-28)9-12-34/h2-5,16-17,33,36H,6-15,18H2,1H3,(H,32,37)
InChIKey
AJSYKFPWVJADDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US20260070887, Example 478
CAS: 3039911-45-7
CID: 171647885
Formula: C29H34F2N4O5S
MW: 588.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.7
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass588.22179770
Monoisotopic Mass588.22179770
Topological Polar Surface Area121 Ų
Heavy Atom Count41
Formal Charge0
Complexity1060
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
GTR19273737-01KIF18A-IN-18
MBS6002075-01KIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A)
524734-01KIF18A
037435-PEKIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (PE)
MBS6313228-01KIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (Biotin)
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-APKIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (AP) discontinued
037435-BiotinKIF18A, CT (KIF18A, Kinesin-like protein KIF18A, Marrow stromal KIF18A) (Biotin) discontinued

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