NAV

Dapansutrile

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

Identification

Generic Name
Dapansutrile
DrugBank Accession Number
DB16130
Background

Dapansutrile is under investigation in clinical trial NCT01768975 (Phase 2 Efficacy Trial of OLT1177 Gel in Subjects With Moderate to Severe Pain Associated With OA of the Knee).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 133.17
Monoisotopic: 133.019749643
Chemical Formula
C4H7NO2S
Synonyms
  • Dapansutrile
External IDs
  • OLT-1177
  • OLT1177
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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

Dapansutrile specifically inhibits the NLRP3 inflammasome and subsequent activation of IL-1β. It is currently being investigated against gout flares, joint pain and COVID-19.1

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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2Z03364G96
CAS number
54863-37-5
InChI Key
LQFRYKBDZNPJSW-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
IUPAC Name
3-methanesulfonylpropanenitrile
SMILES
CS(=O)(=O)CCC#N

References

General References
  1. Kluck V, Jansen TLTA, Janssen M, Comarniceanu A, Efde M, Tengesdal IW, Schraa K, Cleophas MCP, Scribner CL, Skouras DB, Marchetti C, Dinarello CA, Joosten LAB: Dapansutrile, an oral selective NLRP3 inflammasome inhibitor, for treatment of gout flares: an open-label, dose-adaptive, proof-of-concept, phase 2a trial. Lancet Rheumatol. 2020 May;2(5):e270-e280. doi: 10.1016/s2665-9913(20)30065-5. Epub 2020 Apr 8. [Article]
ChemSpider
14967771
ChEMBL
CHEMBL3989943
ZINC
ZINC000032005410
Wikipedia
Dapansutrile

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOsteoarthritis (OA) / Pain1
2CompletedTreatmentOsteoarthritis of the Knee1
2Not Yet RecruitingTreatmentType 2 Diabetes Mellitus1
2TerminatedTreatmentCoronavirus Disease 2019 (COVID‑19) / Cytokine Release Syndrome1
2TerminatedTreatmentSchnitzler's Syndrome1

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 Solubility22.8 mg/mLALOGPS
logP-1ALOGPS
logP-1.4Chemaxon
logS-0.77ALOGPS
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area57.93 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity30.21 m3·mol-1Chemaxon
Polarizability12.42 Å3Chemaxon
Number of Rings0Chemaxon
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/MSsplash10-003r-7900000000-0cde96327eb595169f6e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-d216b4c2331c26694515
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-39d7685b7124ad6ad5e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-9000000000-bae11731c1bf3001e92c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-a904e48b90d412d82d71
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-5551f59e8880e21aee09
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55