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PMPMEase-IN-1

CAT: 0804-HY-118041Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-118041Size:1 Each
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Description
PMPMEase-IN-1 is an allylated methylated protein methylesterase inhibitor with the property of inhibiting PMPMEase activity. PMPMEase-IN-1 may provide a useful strategy for cancer inhibition by enhancing its affinity for polyisoprenyl derivatives. PMPMEase-IN-1 showed the potential to have an effective concentration (EC50) value in causing degeneration of human neuroblastoma SH-SY5Y cells. Specific inhibition of PMPMEase-IN-1 may help regulate the metabolism of polyisoprenyl proteins and thus maintain normal cell survival. Further development and application of PMPMEase-IN-1 may open up new avenues for inhibiting degenerative diseases and cancer[1].
CAS Number
1190196-76-9
UNSPSC
12352100
Target
Carboxylesterase (CES) ; Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pmpmease-in-1.html
Smiles
O=S(CCSC/C=C(C)/CC/C=C(C)\C)(F)=O
Molecular Formula
C12H21FO2S2
Molecular Weight
280.42
References & Citations
[1]Polyisoprenylation potentiates the inhibition of polyisoprenylated methylated protein methyl esterase and the cell degenerative effects of sulfonyl fluorides
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PMPMEase-IN L-23
CAS Number1190196-76-9
PubChem CID44256446
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylethanesulfonyl fluoride
Molecular FormulaC12H21FO2S2
Molecular Weight280.4
XLogP4.1
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
CC(=CCC/C(=C/CSCCS(=O)(=O)F)/C)C
InChI
InChI=1S/C12H21FO2S2/c1-11(2)5-4-6-12(3)7-8-16-9-10-17(13,14)15/h5,7H,4,6,8-10H2,1-3H3/b12-7+
InChIKey
TZWRSKIJUFQCKJ-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of PMPMEase-IN L-23
CAS: 1190196-76-9
CID: 44256446
Formula: C12H21FO2S2
MW: 280.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass280.09670042
Monoisotopic Mass280.09670042
Topological Polar Surface Area67.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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