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Centrinone-B

CAT: 0804-HY-18683-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-18683-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Centrinone-B (LCR-323) is a potent and highly selective PLK4 inhibitor, with a Ki of 0.59 nM.
CAS Number
1798871-31-4
Product Name Alternative
LCR-323
UNSPSC
12352005
Hazard Statement
H302
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/Centrinone-B.html
Purity
98.65
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
FC(C([N+]([O-])=O)=CC=C1)=C1CS(C2=CC(F)=C(SC3=NC(NC4=NNC(C)=C4)=C(OC)C(N5CCCCC5)=N3)C=C2)(=O)=O
Molecular Formula
C27H27F2N7O5S2
Molecular Weight
631.67
Precautions
H302
References & Citations
[1]Wong YL, et al. Cell biology. Reversible centriole depletion with an inhibitor of Polo-like kinase 4. Science. 2015 Jun 5;348 (6239) :1155-60.|[2]Denu RA, et al. Centriole Overduplication is the Predominant Mechanism Leading to Centrosome Amplification in Melanoma. Mol Cancer Res. 2018 Jan 12.
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
PLK4

Chemical Information

Centrinone-B
CAS Number1798871-31-4
PubChem CID118704753
IUPAC Name2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
Molecular FormulaC27H27F2N7O5S2
Molecular Weight631.7
XLogP5.5
Topological Polar Surface Area193
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity1030
SMILES
CC1=CC(=NN1)NC2=C(C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)CC4=C(C(=CC=C4)[N+](=O)[O-])F)F)N5CCCCC5)OC
InChI
InChI=1S/C27H27F2N7O5S2/c1-16-13-22(34-33-16)30-25-24(41-2)26(35-11-4-3-5-12-35)32-27(31-25)42-21-10-9-18(14-19(21)28)43(39,40)15-17-7-6-8-20(23(17)29)36(37)38/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H2,30,31,32,33,34)
InChIKey
UPZNTUYHCRQOIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Centrinone-B
CAS: 1798871-31-4
CID: 118704753
Formula: C27H27F2N7O5S2
MW: 631.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.7
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass631.14831566
Monoisotopic Mass631.14831566
Topological Polar Surface Area193 Ų
Heavy Atom Count43
Formal Charge0
Complexity1030
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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