Naproxcinod

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

Identification

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Name
Naproxcinod
Accession Number
DB06682
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • (S)-2-(6-Methoxy-2-naphthyl)propanoic acid 4-nitrooxybutyl ester
  • Naproxcinod
  • Naproxcinodum
  • Naproxen-N-butyl nitrate
External IDs
AR-P900758XX / AZD 3582 / AZD-3582 / AZD3582 / HCT 3012 / HCT-3012
Categories
UNII
V24GR4LI3I
CAS number
163133-43-5
Weight
Average: 347.367
Monoisotopic: 347.1368874
Chemical Formula
C18H21NO6
InChI Key
AKFJWRDCWYYTIG-ZDUSSCGKSA-N
InChI
InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1
IUPAC Name
4-(nitrooxy)butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILES
COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)OCCCCO[N+]([O-])=O

Pharmacology

Indication

Investigated for use/treatment in pain (acute or chronic), inflammatory disorders (unspecified), osteoarthritis, and arthritis and arthritic pain.

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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D09568
ChemSpider
8060316
ChEBI
76254
ChEMBL
CHEMBL2103831
Wikipedia
Naproxcinod
ATC Codes
M01AE18 — Naproxcinod

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceLiver Diseases1
1CompletedBasic ScienceRenal Hemodynamics1
1CompletedTreatmentRenal Failure1
3CompletedTreatmentOsteoarthritis (OA)1
3CompletedTreatmentOsteoarthritis (OA) / Osteoarthritis, Hip1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000281 mg/mLALOGPS
logP3.79ALOGPS
logP3.72ChemAxon
logS-6.1ALOGPS
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area87.9 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity91.11 m3·mol-1ChemAxon
Polarizability36.19 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Anisoles / Alkyl aryl ethers / Alkyl nitrates / Organic nitro compounds / Organic nitric acids and derivatives / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Organic nitrogen compounds / Hydrocarbon derivatives
show 1 more
Substituents
Naphthalene / Anisole / Alkyl aryl ether / Organic nitrate / Alkyl nitrate / Carboxylic acid ester / Organic nitric acid or derivatives / Organic nitro compound / Monocarboxylic acid or derivatives / Ether
show 10 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
carboxylic ester, methoxynaphthalene, nitrate ester (CHEBI:76254)

Drug created on March 19, 2008 10:48 / Updated on June 04, 2019 06:27