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TAK-960

CAT: 0931-T7200-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7200-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1137868-52-0
Target
PLK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.98
Bioactivity
TAK-960 is an orally bioavailable, selective inhibitor of Plks with IC50 values of 0.8, 16.9, and 50.2 nM for Plk1, Plk2, and Plk3, respectively.
Smiles
COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1
Molecular Formula
C27H34F3N7O3
Molecular Weight
561.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tak-960

PLK1 Inhibitor TAK-960 is an orally available, Polo-like kinase 1 (PLK1) inhibitor with potential antineoplastic activity. Polo-like kinase 1 inhibitor TAK-960 selectively inhibits PLK1, inducing selective G2/M cell-cycle arrest followed by apoptosis in a variety of tumor cells while causing reversible cell-cycle arrest at the G1 and G2 stages without apoptosis in normal cells. PLK1 inhibition may result in the inhibition of proliferation in PLK1-overexpressed tumor cells. PLK1, named after the polo gene of Drosophila melanogaster, is a serine/threonine kinase crucial in the regulation of mitosis.

CAS Number1137868-52-0
PubChem CID53357478
IUPAC Name4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Molecular FormulaC27H34F3N7O3
Molecular Weight561.6
XLogP3.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity903
SMILES
CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
InChI
InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)
InChIKey
GWRSATNRNFYMDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tak-960
CAS: 1137868-52-0
CID: 53357478
Formula: C27H34F3N7O3
MW: 561.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass561.26752246
Monoisotopic Mass561.26752246
Topological Polar Surface Area103 Ų
Heavy Atom Count40
Formal Charge0
Complexity903
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
MBS130811-01TAK-960
MBS132301-01TAK 960
MVB86896-01Tak 960 hydrochloride
166670TAK-960-d3
GTR19212898TAK-960 dihydrochloride
A11146-100TAK-960 100mg
A11146-2TAK-960 2mg
GTR19184488-01TAK-960 hydrochloride
HY-15160CTAK-960 (monohydrochloride)
HY-15160ATAK-960 (hydrochloride)

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