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TAK-960 hydrochloride

CAT: 0931-T64216-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64216-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1137868-96-2
Target
PLK, Others
Related Pathways
Cell Cycle/Checkpoint, Others
Bioactivity
TAK-960 hydrochloride is a potent, selective, orally active inhibitor of polo-like kinase 1 (PLK1) (IC50: 0.8 nM) . TAK-960 hydrochloride inhibits the proliferation of a variety of tumour cell lines and significantly treats a variety of tumour xenografts.
Molecular Formula
C27H35ClF3N7O3
Molecular Weight
598.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TAK-960 hydrochloride
CAS Number1137868-96-2
PubChem CID91826087
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;hydrochloride
Molecular FormulaC27H35ClF3N7O3
Molecular Weight598.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count41
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.Cl
InChI
InChI=1S/C27H34F3N7O3.ClH/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);1H
InChIKey
QZBHDFGFNVMONB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAK-960 hydrochloride
CAS: 1137868-96-2
CID: 91826087
Formula: C27H35ClF3N7O3
MW: 598.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass597.2442002
Monoisotopic Mass597.2442002
Topological Polar Surface Area103 Ų
Heavy Atom Count41
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MVB86896-01Tak 960 hydrochloride
MBS3846128-01TAK-960 hydrochloride
HY-15160ATAK-960 (hydrochloride)
A21703-50TAK-960 hydrochloride 50mg
A21703-5TAK-960 hydrochloride 5mg
A21703-100TAK-960 hydrochloride 100mg
A21703-25TAK-960 hydrochloride 25mg
A21703-10TAK-960 hydrochloride 10mg
A21703-1TAK-960 hydrochloride 1mg
MBS3603056-01TAK-659 hydrochloride

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