Neosaxitoxin

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

Identification

Name
Neosaxitoxin
Accession Number
DB12989
Type
Small Molecule
Groups
Investigational
Description

Neosaxitoxin is under investigation in clinical trial NCT01786655 (Safety Study of Long-Acting Local Anesthetic).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
6YRL8BWD9H
CAS number
64296-20-4
Weight
Average: 315.2859
Monoisotopic: 315.129116689
Chemical Formula
C10H17N7O5
InChI Key
PPEKGEBBBBNZKS-HGRQIUPRSA-N
InChI
InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
IUPAC Name
[(4R,10aS,10bS)-2-amino-5,10,10-trihydroxy-6-imino-3H,4H,5H,6H,8H,9H,10H,10bH-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
SMILES
NC(=O)OC[[email protected]]1[[email protected]@H]2NC(N)=N[[email protected]]22N(CCC2(O)O)C(=N)N1O

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinNeosaxitoxin may increase the arrhythmogenic activities of Acetyldigitoxin.Approved
AcetyldigoxinNeosaxitoxin may increase the arrhythmogenic activities of Acetyldigoxin.Experimental
AclarubicinAclarubicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
AldoxorubicinAldoxorubicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
AmikacinAmikacin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational, Vet Approved
AmrubicinAmrubicin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
AnnamycinAnnamycin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
ApramycinApramycin may increase the respiratory depressant activities of Neosaxitoxin.Experimental, Vet Approved
ArbekacinArbekacin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
AzosemideAzosemide may decrease the neuromuscular blocking activities of Neosaxitoxin.Investigational
BekanamycinBekanamycin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
Botulinum Toxin Type ABotulinum Toxin Type A may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational
Botulinum Toxin Type BNeosaxitoxin may increase the neuromuscular blocking activities of Botulinum Toxin Type B.Approved, Investigational
BumetanideBumetanide may decrease the neuromuscular blocking activities of Neosaxitoxin.Approved
CapreomycinCapreomycin may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
ChlortetracyclineChlortetracycline may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational, Vet Approved
ClindamycinClindamycin may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Vet Approved
ColistimethateColistimethate may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Vet Approved
CyclosporineCyclosporine may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational, Vet Approved
CymarinNeosaxitoxin may increase the arrhythmogenic activities of Cymarin.Experimental
DaunorubicinDaunorubicin may increase the respiratory depressant activities of Neosaxitoxin.Approved
DemeclocyclineDemeclocycline may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
DeslanosideNeosaxitoxin may increase the arrhythmogenic activities of Deslanoside.Approved
DibekacinDibekacin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
DigitoxinNeosaxitoxin may increase the arrhythmogenic activities of Digitoxin.Approved, Investigational
DigoxinNeosaxitoxin may increase the arrhythmogenic activities of Digoxin.Approved
Digoxin Immune Fab (Ovine)Neosaxitoxin may increase the arrhythmogenic activities of Digoxin Immune Fab (Ovine).Approved
DihydrostreptomycinDihydrostreptomycin may increase the respiratory depressant activities of Neosaxitoxin.Investigational, Vet Approved
DoxorubicinDoxorubicin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
DoxycyclineDoxycycline may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational, Vet Approved
EpirubicinEpirubicin may increase the respiratory depressant activities of Neosaxitoxin.Approved
Etacrynic acidEtacrynic acid may decrease the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational
FramycetinFramycetin may increase the respiratory depressant activities of Neosaxitoxin.Approved
FurosemideFurosemide may decrease the neuromuscular blocking activities of Neosaxitoxin.Approved, Vet Approved
GeneticinGeneticin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
GentamicinGentamicin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Vet Approved
GENTAMICIN C1AGENTAMICIN C1A may increase the respiratory depressant activities of Neosaxitoxin.Experimental
GitoformateNeosaxitoxin may increase the arrhythmogenic activities of Gitoformate.Experimental
GPX-150GPX-150 may increase the respiratory depressant activities of Neosaxitoxin.Investigational
Hygromycin BHygromycin B may increase the respiratory depressant activities of Neosaxitoxin.Vet Approved
IdarubicinIdarubicin may increase the respiratory depressant activities of Neosaxitoxin.Approved
IsepamicinIsepamicin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
KanamycinKanamycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational, Vet Approved
Lanatoside CNeosaxitoxin may increase the arrhythmogenic activities of Lanatoside C.Experimental
LincomycinLincomycin may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Vet Approved
LithiumLithium may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
Magnesium hydroxideMagnesium hydroxide may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational
Magnesium oxideMagnesium oxide may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
Magnesium salicylateMagnesium salicylate may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
Magnesium sulfateMagnesium sulfate may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational, Vet Approved
MetildigoxinNeosaxitoxin may increase the arrhythmogenic activities of Metildigoxin.Experimental
MetrizamideMetrizamide may increase the respiratory depressant activities of Neosaxitoxin.Approved
MicronomicinMicronomicin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
MinocyclineMinocycline may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational
NeamineNeamine may increase the respiratory depressant activities of Neosaxitoxin.Experimental
NeomycinNeomycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Vet Approved
NetilmicinNetilmicin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
OleandrinNeosaxitoxin may increase the arrhythmogenic activities of Oleandrin.Experimental, Investigational
OuabainNeosaxitoxin may increase the arrhythmogenic activities of Ouabain.Approved
ParomomycinParomomycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
PeruvosideNeosaxitoxin may increase the arrhythmogenic activities of Peruvoside.Experimental
PirarubicinPirarubicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
PiretanidePiretanide may decrease the neuromuscular blocking activities of Neosaxitoxin.Approved
PirlimycinPirlimycin may increase the neuromuscular blocking activities of Neosaxitoxin.Vet Approved
PlazomicinPlazomicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
PlicamycinPlicamycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational, Withdrawn
Polymyxin B SulfatePolymyxin B Sulfate may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Vet Approved
ProcainamideProcainamide may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
ProscillaridinNeosaxitoxin may increase the arrhythmogenic activities of Proscillaridin.Experimental
PuromycinPuromycin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
QuinidineQuinidine may increase the neuromuscular blocking activities of Neosaxitoxin.Approved, Investigational
QuinineQuinine may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
RibostamycinRibostamycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
SabarubicinSabarubicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
SisomicinSisomicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
SP1049CSP1049C may increase the respiratory depressant activities of Neosaxitoxin.Investigational
SpectinomycinSpectinomycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational, Vet Approved
StreptomycinStreptomycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Vet Approved
StreptozocinStreptozocin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
TobramycinTobramycin may increase the respiratory depressant activities of Neosaxitoxin.Approved, Investigational
TorasemideTorasemide may decrease the neuromuscular blocking activities of Neosaxitoxin.Approved
ValrubicinValrubicin may increase the respiratory depressant activities of Neosaxitoxin.Approved
VancomycinVancomycin may increase the neuromuscular blocking activities of Neosaxitoxin.Approved
Zoptarelin doxorubicinZoptarelin doxorubicin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
ZorubicinZorubicin may increase the respiratory depressant activities of Neosaxitoxin.Experimental
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0029369
PubChem Compound
21117946
PubChem Substance
347829128
ChemSpider
19975931
Wikipedia
Neosaxitoxin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
1RecruitingOtherAnaesthesia therapy / Analgesia / Local Anesthesia1

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 Solubility4.19 mg/mLALOGPS
logP-2ALOGPS
logP-2.6ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)10.6ChemAxon
pKa (Strongest Basic)9.14ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area193.75 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity79.89 m3·mol-1ChemAxon
Polarizability28.82 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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 saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Saxitoxins, gonyautoxins, and derivatives
Sub Class
Not Available
Direct Parent
Saxitoxins, gonyautoxins, and derivatives
Alternative Parents
Alkaloids and derivatives / Imidazopyrimidines / Diazinanes / N-hydroxyguanidines / Pyrrolidines / Carbamate esters / Imidazolines / Organic carbonic acids and derivatives / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds
show 8 more
Substituents
Saxitoxin-gonyautoxin skeleton / Imidazopyrimidine / Alkaloid or derivatives / 1,3-diazinane / N-hydroxyguanidine / 2-imidazoline / Pyrrolidine / Carbamic acid ester / Guanidine / Carbonic acid derivative
show 17 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:48 / Updated on May 02, 2018 00:27