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Cyclapolin 9

CAT: 0804-HY-15159-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-15159-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cyclapolin 9 is a potent, selective and ATP-competitive polo-like kinase 1 (PLK1) inhibitor with an IC50 of 500 nM. Cyclapolin 9 is inactive against other kinases[1][2].
CAS Number
40533-25-3
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Polo-like Kinase (PLK)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cyclapolin-9.html
Purity
98.09
Solubility
DMSO : 20 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C(C1=[N+]([O-])C2=CC(C(F)(F)F)=CC([N+]([O-])=O)=C2S1)N
Molecular Formula
C9H4F3N3O4S
Molecular Weight
307.21
Precautions
H315, H319, H335
References & Citations
[1]Martin Hennenberg, et al. Inhibition of Prostate Smooth Muscle Contraction by Inhibitors of Polo-Like Kinases. Front Physiol. 2018 Jun 15;9:734.|[2]Campbell McInnes, et al. Inhibitors of Polo-like kinase reveal roles in spindle-pole maintenance. Nat Chem Biol. 2006 Nov;2 (11) :608-17.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PLK1

Chemical Information

Cyclapolin 9
CAS Number40533-25-3
PubChem CID2779952
IUPAC Name7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide
Molecular FormulaC9H4F3N3O4S
Molecular Weight307.21
XLogP2.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity430
SMILES
C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C9H4F3N3O4S/c10-9(11,12)3-1-4-6(5(2-3)15(18)19)20-8(7(13)16)14(4)17/h1-2H,(H2,13,16)
InChIKey
FHFLXKUKCSDMLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclapolin 9
CAS: 40533-25-3
CID: 2779952
Formula: C9H4F3N3O4S
MW: 307.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.21
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass306.98746128
Monoisotopic Mass306.98746128
Topological Polar Surface Area143 Ų
Heavy Atom Count20
Formal Charge0
Complexity430
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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CatalogName
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