NAV

D-fluoromethyltyrosine F-18

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

Identification

Generic Name
D-fluoromethyltyrosine F-18
DrugBank Accession Number
DB15296
Background

D-fluoromethyltyrosine F-18 is under investigation in clinical trial NCT01089998 (PET/CT Imaging for Radiation Dosimetry, Plasma Pharmacokinetics, Safety and Tolerability in Healthy Volunteers and Safety, Tolerability and Diagnostic Performance of BAY86-9596 in Patients With Non-small Cell Lung Cancer, Breast Cancer, Head and Neck Cancer and Patients With Inflammations).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 212.211
Monoisotopic: 212.082655917
Chemical Formula
C10H12FNO3
Synonyms
Not Available
External IDs
  • BAY86-9596
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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
58HVN5SR99
CAS number
870452-26-9
InChI Key
GEBHVOHKNWLITQ-DEVVULMSSA-N
InChI
InChI=1S/C10H12FNO3/c11-6-15-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1/i11-1
IUPAC Name
(2R)-2-amino-3-{4-[(¹⁸F)fluoromethoxy]phenyl}propanoic acid
SMILES
N[C@H](CC1=CC=C(OC[18F])C=C1)C(O)=O

References

General References
Not Available
ChemSpider
9754145

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedDiagnosticImaging procedure2

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 Solubility2.63 mg/mLALOGPS
logP-1.8ALOGPS
logP-1.2Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)2.06Chemaxon
pKa (Strongest Basic)9.47Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area72.55 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity51.3 m3·mol-1Chemaxon
Polarizability20.29 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-0i00-0920000000-1d4ec9c722ce5c0bb34f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-0900000000-64cf99fface1c8071dfc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-0890000000-5caa55e6b6217db86c4d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-116u-3900000000-7be0148c540748fb4846
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01b9-9300000000-5867d13c64a823c90f25
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-060s-9700000000-38a8bad6a9e76807010d
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:09 / Updated at June 12, 2020 16:53