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Poloppin

CAT: 0804-HY-124761-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124761-01Size:1 mg
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Description
Poloppin is a potent, cell penetrant inhibitor of the mitotic Polo-like kinase (PLK) (IC50=26.9 μM) and prevents the protein-protein interaction via the Polo-box domain (PBD) (Kd= 29.5 μM) . Poloppin selectively kills cells expressing mutant KRAS, enhancing death in mitosis. Poloppin is used for the study of KRAS-mutant cancers as single agents, or in combination with c-MET inhibitors[1].
CAS Number
683808-78-8
UNSPSC
12352005
Target
Autophagy; Mitosis; Polo-like Kinase (PLK)
Type
Reference compound
Related Pathways
Autophagy; Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/poloppin.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCC1=CC=C(C2=CC=C(Br)C=C2)N1C3=CC=CC=C3C(F)(F)F
Molecular Formula
C20H15BrF3NO2
Molecular Weight
438.24
References & Citations
[1]Ana J Narvaez, et al. Modulating Protein-Protein Interactions of the Mitotic Polo-like Kinases to Target Mutant KRAS. Cell Chem Biol. 2017 Aug 17;24 (8) :1017-1028.e7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Poloppin
CAS Number683808-78-8
PubChem CID2289359
IUPAC Name3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid
Molecular FormulaC20H15BrF3NO2
Molecular Weight438.2
XLogP5.4
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity508
SMILES
C1=CC=C(C(=C1)C(F)(F)F)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O
InChI
InChI=1S/C20H15BrF3NO2/c21-14-7-5-13(6-8-14)17-11-9-15(10-12-19(26)27)25(17)18-4-2-1-3-16(18)20(22,23)24/h1-9,11H,10,12H2,(H,26,27)
InChIKey
OCUKOJUZSNFVFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Poloppin
CAS: 683808-78-8
CID: 2289359
Formula: C20H15BrF3NO2
MW: 438.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.2
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass437.02383
Monoisotopic Mass437.02383
Topological Polar Surface Area42.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity508
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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