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XR 3054

CAT: 0804-HY-125669Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-125669Size:1 Each
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Description
XR 3054 is an inhibitor for Farnesyl Transferase, that inhibits farnesylation of CAAX recognition peptide with IC50 of 50 μM. XR 3054 suppresses the farnesylation of p21 ras and activation of MAP kinase. XR 3054 inhibits the proliferation of prostate cancer cell and colon cancer cell, with IC50 of 8.8-21.4 μM[1].
CAS Number
247090-97-7
UNSPSC
12352005
Target
Farnesyl Transferase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/xr-3054.html
Smiles
C=C(C)[C@H]1CC[C@]2(COC(C)(O2)C)CC1
Molecular Formula
C13H22O2
Molecular Weight
210.31
References & Citations
[1]Donaldson MJ, et al., XR3054, structurally related to limonene, is a novel inhibitor of farnesyl protein transferase. Eur J Cancer. 1999 Jun;35 (6) :1014-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(4beta)-1beta,7-(Isopropylidenedioxy)-p-mentha-8-ene
CAS Number247090-97-7
PubChem CID9794331
IUPAC Name2,2-dimethyl-8-prop-1-en-2-yl-1,3-dioxaspiro[4.5]decane
Molecular FormulaC13H22O2
Molecular Weight210.31
XLogP3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity260
SMILES
CC(=C)C1CCC2(CC1)COC(O2)(C)C
InChI
InChI=1S/C13H22O2/c1-10(2)11-5-7-13(8-6-11)9-14-12(3,4)15-13/h11H,1,5-9H2,2-4H3
InChIKey
PUEZSVQWMHEGRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4beta)-1beta,7-(Isopropylidenedioxy)-p-mentha-8-ene
CAS: 247090-97-7
CID: 9794331
Formula: C13H22O2
MW: 210.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.31
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass210.161979940
Monoisotopic Mass210.161979940
Topological Polar Surface Area18.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity260
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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