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Luvixasertib (CFI-402257)

CAT: 1568-C13298-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C13298-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1610759-22-2
Synonyms
Luvixasertib
SKU
C13298-5mg
Target
Serine/threonin kinase
Applications
Cell Cycle
Molecular Formula
C28H30N6O3
Additionnal Information
Luvixasertib (CFI-402257) is an inhibitor of threonine tyrosine kinase (TTK) with IC50 of 1.7 nM and Ki of 0.1 nM, respectively. It is a potential therapeutic for treating hepatocellular carcinoma that works directly by inhibiting cell-cycle checkpoints in cancer cells and indirectly by mobilizing immune cells from the tumor microenvironment.

Chemical Information

Luvixasertib

See also: Luvixasertib (annotation moved to).

CAS Number1610759-22-2
PubChem CID118086034
IUPAC NameN-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
Molecular FormulaC28H30N6O3
Molecular Weight498.6
XLogP3.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity805
SMILES
CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6
InChI
InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)
InChIKey
PMQUGSPFUBGJCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Luvixasertib
CAS: 1610759-22-2
CID: 118086034
Formula: C28H30N6O3
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass498.23793884
Monoisotopic Mass498.23793884
Topological Polar Surface Area114 Ų
Heavy Atom Count37
Formal Charge0
Complexity805
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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