NAV

Tempol

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

Identification

Generic Name
Tempol
DrugBank Accession Number
DB12449
Background

Tempol has been used in trials studying the treatment of Anal Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 172.248
Monoisotopic: 172.133753824
Chemical Formula
C9H18NO2
Synonyms
  • 1-PIPERIDINYLOXY,4-HYDROXY-2,2,6,6-TETRAMETHYL-
  • 2,2,6,6-TETRAMETHYL-4-HYDROXYPIPERIDINE 1-OXIDE RADICAL
  • 2,2,6,6-TETRAMETHYL-4-HYDROXYPIPERIDINOOXY
  • 2,2,6,6-TETRAMETHYL-4-HYDROXYPIPERIDINOOXY RADICAL
  • 4-HYDROXY-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY
  • 4-HYDROXY-2,2,6,6-TETRAMETHYL-PIPERIDIN-1-OXYL
  • 4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-1-YL)OXIDANYL
  • 4-Hydroxy-2,2,6,6-tetramethylpiperidine-N-oxyl
  • 4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINEY-1-OXYL
  • 4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINLYOXY
  • 4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINOOXY
  • 4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINOOXYL
  • 4-OXYPIPERIDOL
External IDs
  • MBM-02
  • SPJ-701
  • ZJ-701
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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 piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Not Available
Direct Parent
Piperidines
Alternative Parents
Secondary alcohols / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Alcohol / Aliphatic heteromonocyclic compound / Azacycle / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Piperidine
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U78ZX2F65X
CAS number
2226-96-2
InChI Key
UZFMOKQJFYMBGY-UHFFFAOYSA-N
InChI
InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3
IUPAC Name
(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
SMILES
CC1(C)CC(O)CC(C)(C)N1[O]

References

General References
Not Available
Human Metabolome Database
HMDB0258807
PubChem Compound
137994
PubChem Substance
347828690
ChemSpider
121639
BindingDB
50238660
ChEBI
180664
ChEMBL
CHEMBL607023
ZINC
ZINC000100004133
Wikipedia
4-Hydroxy-TEMPO

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Not Yet RecruitingTreatmentAtaxia Telangiectasia in Children / Ataxia Telangiectasia Louis-Bar / Ataxia-Telangiectasia (A-T)1
2Not Yet RecruitingTreatmentBiochemically Recurrent Prostate Cancer / Recurrent Prostate Cancer1
2Not Yet RecruitingTreatmentGlioblastoma Multiforme (GBM) / High Grade Glioma: Glioblastoma (GBM)1
2RecruitingTreatmentMucositis / Nephrotoxicity / Ototoxicity1
2Unknown StatusPreventionAlopecia1

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 Solubility125.0 mg/mLALOGPS
logP0.6ALOGPS
logP0.22Chemaxon
logS-0.14ALOGPS
pKa (Strongest Acidic)15.14Chemaxon
pKa (Strongest Basic)-2.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity47.17 m3·mol-1Chemaxon
Polarizability19.3 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-0a4i-9300000000-3c610b25c670c0d82541
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1900000000-33f7a84fd158ce4fa6ff
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-0603ade0c338ae8031e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05ai-7900000000-bf2f332a6260fe35e5bf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0900000000-3ddc3e62a68fbb217ce2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-003u-9700000000-c04f23d7342274afd905
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0r00-7900000000-1f80a11b30eadab66f72
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]-140.1028537
predicted
DarkChem Lite v0.1.0
[M-H]-140.0305537
predicted
DarkChem Lite v0.1.0
[M-H]-142.57108
predicted
DeepCCS 1.0 (2019)
[M+H]+140.6557537
predicted
DarkChem Lite v0.1.0
[M+H]+140.8737537
predicted
DarkChem Lite v0.1.0
[M+H]+145.65393
predicted
DeepCCS 1.0 (2019)
[M+Na]+140.0692537
predicted
DarkChem Lite v0.1.0
[M+Na]+140.1873537
predicted
DarkChem Lite v0.1.0
[M+Na]+154.72346
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:26 / Updated at September 12, 2023 18:32