Enbucrilate

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
Enbucrilate
Accession Number
DB12358
Type
Small Molecule
Groups
Investigational
Description

Enbucrilate is under investigation in clinical trial NCT02468206 (Secondary Prophylaxis of Gastric Variceal Bleed).

Structure
Thumb
Synonyms
  • Butyl 2-cyanoacrylate
  • N-butyl cyanoacrylate
  • N-butyl-2-cyanoacrylate
Categories
UNII
F8CEP82QNP
CAS number
6606-65-1
Weight
Average: 153.1784
Monoisotopic: 153.078978601
Chemical Formula
C8H11NO2
InChI Key
JJJFUHOGVZWXNQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3
IUPAC Name
butyl 2-cyanoprop-2-enoate
SMILES
CCCCOC(=O)C(=C)C#N

Pharmacology

Indication
Not Available
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 Compound
C13415
PubChem Compound
23087
PubChem Substance
347828611
ChemSpider
21607
ChEBI
134778
ChEMBL
CHEMBL2104251
Wikipedia
Butyl_cyanoacrylate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentOesophageal varices haemorrhage1
3Unknown StatusTreatmentRebleeding From Gastric Varices / Ulcer, on Gastric Varices1
Not AvailableCompletedTreatmentGastric Varices1
Not AvailableRecruitingTreatmentGastric Varices2

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 Solubility1.27 mg/mLALOGPS
logP1.76ALOGPS
logP2.05ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)-7.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area50.09 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity40.99 m3·mol-1ChemAxon
Polarizability16.4 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/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 cyanoacrylates. These are organonitrogen compounds containing an acrylic acid ester, which carries a nitrile group. They have the general structure ROC(=O)C(=C)C#N, where R is an organic group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Cyanoacrylates
Alternative Parents
Nitriles / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Cyanoacrylic acid ester / Nitrile / Carbonitrile / Monocarboxylic acid or derivatives / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:04 / Updated on June 04, 2019 07:36