Buthionine Sulfoximine

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

Identification

Name
Buthionine Sulfoximine
Accession Number
DB12870
Type
Small Molecule
Groups
Investigational
Description

Buthionine Sulfoximine has been used in trials studying the treatment of Neuroblastoma and Melanoma (Skin).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
LW4108Q0BV
CAS number
5072-26-4
Weight
Average: 222.3
Monoisotopic: 222.103813622
Chemical Formula
C8H18N2O3S
InChI Key
KJQFBVYMGADDTQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
IUPAC Name
2-amino-4-[butyl(imino)oxo-lambda6-sulfanyl]butanoic acid
SMILES
CCCCS(=N)(=O)CCC(N)C(O)=O

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
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Buthionine Sulfoximine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Buthionine Sulfoximine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Buthionine Sulfoximine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Buthionine Sulfoximine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Buthionine Sulfoximine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Buthionine Sulfoximine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Buthionine Sulfoximine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Buthionine Sulfoximine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Buthionine Sulfoximine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Buthionine Sulfoximine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C04543
PubChem Compound
21157
PubChem Substance
347829028
ChemSpider
19896
ChEBI
28714
ChEMBL
CHEMBL1256575

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNeuroblastomas2
1WithdrawnTreatmentMelanoma (Skin)1

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 Solubility2.2 mg/mLALOGPS
logP-2.9ALOGPS
logP-3ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)2.18ChemAxon
pKa (Strongest Basic)9.09ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area104.24 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity54.01 m3·mol-1ChemAxon
Polarizability23.65 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 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 alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids
Alternative Parents
Thia fatty acids / Carbo-azosulfones / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Alpha-amino acid / Thia fatty acid / Fatty acyl / Fatty acid / Carbo-azosulfone / Amino acid / Carboxylic acid / Monocarboxylic acid or derivatives / Organic nitrogen compound / Hydrocarbon derivative
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
non-proteinogenic alpha-amino acid, sulfoximide, homocysteines (CHEBI:28714)

Drug created on October 20, 2016 18:54 / Updated on November 09, 2017 05:14