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TAK960

CAT: 0607-B5860-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5860-10Size:10 mg
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Description
Oral and selective PLK1 inhibitor
CAS Number
1137868-52-0
Product Name Alternative
4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Field of Research
Cell Cycle Checkpoint PLK
Purity
0.9806
Form
A solid
Solubility
≥28.05 mg/mL in DMSO; insoluble in H2O; ≥12.3 mg/mL in EtOH
Smiles
CN1CCC(NC(C2=CC(OC)=C(NC3=NC=C(N(C(C(F)(F)CN4C5CCCC5)=O)C)C4=N3)C=C2F)=O)CC1
Molecular Formula
C27H34F3N7O3
Molecular Weight
561.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -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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