NAV

2'-fluoro-5-ethylarabinosyluracil

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

Identification

Generic Name
2'-fluoro-5-ethylarabinosyluracil
DrugBank Accession Number
DB13030
Background

2'-fluoro-5-ethylarabinosyluracil (FAU) has been used in trials studying the treatment of Small Intestine Lymphoma, Stage IV Mantle Cell Lymphoma, Waldenström Macroglobulinemia, Splenic Marginal Zone Lymphoma, and Recurrent Mantle Cell Lymphoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 246.194
Monoisotopic: 246.065199625
Chemical Formula
C9H11FN2O5
Synonyms
  • 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil
  • 2'-Fluoro-5-ethyl-1-beta-D-arabinofuranosyluracil
  • FAU
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleosides
Sub Class
Pyrimidine 2'-deoxyribonucleosides
Direct Parent
Pyrimidine 2'-deoxyribonucleosides
Alternative Parents
Pyrimidones / Hydropyrimidines / Vinylogous amides / Oxolanes / Heteroaromatic compounds / Ureas / Secondary alcohols / Fluorohydrins / Lactams / Azacyclic compounds
show 7 more
Substituents
Alcohol / Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Fluorohydrin / Halohydrin / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
K7386OMP29
CAS number
69123-94-0
InChI Key
UIYWFOZZIZEEKJ-PXBUCIJWSA-N
InChI
InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1
IUPAC Name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1C=CC(=O)NC1=O

References

General References
Not Available
PubChem Compound
3007908
PubChem Substance
347829164
ChemSpider
2277451
ChEMBL
CHEMBL3228489
ZINC
ZINC000017174165

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility120.0 mg/mLALOGPS
logP-1ALOGPS
logP-1.5Chemaxon
logS-0.31ALOGPS
pKa (Strongest Acidic)9.85Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area99.1 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity50.87 m3·mol-1Chemaxon
Polarizability21.05 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9320000000-2b71eca0e3a834e2334f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-2910000000-1763eac39075078998de
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9800000000-eb6a5a2930104631de2a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-3910000000-9c089fc91de30e0b0125
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-4900000000-b87fe985867bf0c904a2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-7910000000-832c45fe941ace70f347
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9310000000-56c091a044f19a26bad7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-154.1374
predicted
DeepCCS 1.0 (2019)
[M+H]+156.5335
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.56732
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:11 / Updated at June 12, 2020 16:53