NAV

5-methyl-2'-fluoroarauracil F-18

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
5-methyl-2'-fluoroarauracil F-18
DrugBank Accession Number
DB14913
Background

5-methyl-2'-fluoroarauracil F-18 is under investigation in clinical trial NCT02809690 (18F-FMAU PET/CT in Diagnosing and Characterizing Prostate Cancer).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 259.224
Monoisotopic: 259.083384194
Chemical Formula
C10H13FN2O5
Synonyms
  • 18F-FMAU
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
J932A2CDQO
CAS number
241144-93-4
InChI Key
GBBJCSTXCAQSSJ-MSYRQUNGSA-N
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1/i11-1
IUPAC Name
1-[(2R,3S,4R,5R)-3-(¹⁸F)fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2[18F])C(=O)NC1=O

References

General References
Not Available
ChemSpider
9240285

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedDiagnosticNeoplasms of the Prostate1
0Active Not RecruitingDiagnosticAnatomic Stage IV Breast Cancer AJCC v8 / Brain Metastases / Clinical Stage IV Cutaneous Melanoma AJCC v8 / Glioma / Malignant Brain Neoplasm / Metastatic Breast Carcinoma / Metastatic Colon Carcinoma / Metastatic Kidney Carcinoma / Metastatic Lung Carcinoma / Metastatic Melanoma / Pathologic Stage IV Cutaneous Melanoma AJCC v8 / Prognostic Stage IV Breast Cancer AJCC v8 / Stage IV Colon Cancer AJCC v8 / Stage IV Lung Cancer AJCC v8 / Stage IV Renal Cell Cancer AJCC v8 / Stage IVA Colon Cancer AJCC v8 / Stage IVA Lung Cancer AJCC v8 / Stage IVB Colon Cancer AJCC v8 / Stage IVB Lung Cancer AJCC v8 / Stage IVC Colon Cancer AJCC v81

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility87.7 mg/mLALOGPS
logP-0.72ALOGPS
logP-1.1Chemaxon
logS-0.47ALOGPS
pKa (Strongest Acidic)10.1Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area99.1 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity55.23 m3·mol-1Chemaxon
Polarizability23.17 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0059-6900000000-c8b53f42cca509af60ac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pb9-0940000000-5dae756bbe74fe2418de
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053r-9300000000-53526b4e213d3ba3acc5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-054o-9800000000-a30a1bda498123f31d22
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-2900000000-0ad6cd5ee4c6ba9d63bf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-9600000000-f31a71501272ecc6beba
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:34 / Updated at June 12, 2020 16:53