Methylselenocysteine

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

Identification

Name
Methylselenocysteine
Accession Number
DB12697
Type
Small Molecule
Groups
Investigational
Description

Methylselenocysteine has been used in trials studying the prevention of Prostate Carcinoma and No Evidence of Disease.

Structure
Thumb
Synonyms
  • SE-METHYL-SELENO-L-CYSTEINE
Categories
UNII
TWK220499Z
CAS number
26046-90-2
Weight
Average: 182.08
Monoisotopic: 182.979850365
Chemical Formula
C4H9NO2Se
InChI Key
XDSSPSLGNGIIHP-VKHMYHEASA-N
InChI
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
IUPAC Name
(2R)-2-amino-3-(methylselanyl)propanoic acid
SMILES
C[Se]C[[email protected]](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 Methylselenocysteine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Methylselenocysteine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Methylselenocysteine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Methylselenocysteine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Methylselenocysteine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Methylselenocysteine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Methylselenocysteine.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Methylselenocysteine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Methylselenocysteine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Methylselenocysteine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Methylselenocysteine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Methylselenocysteine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Methylselenocysteine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Methylselenocysteine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB04113
KEGG Compound
C05689
PubChem Compound
147004
PubChem Substance
347828898
ChemSpider
129633
ChEBI
27812
ChEMBL
CHEMBL62382

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedPreventionHealthy, no Evidence of Disease1
1CompletedPreventionNo Evidence of Disease / Prostate Cancer1

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 Solubility156.0 mg/mLALOGPS
logP-2.8ALOGPS
logP-3.5ChemAxon
logS-0.07ALOGPS
pKa (Strongest Acidic)1.46ChemAxon
pKa (Strongest Basic)8.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity38.2 m3·mol-1ChemAxon
Polarizability12.89 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
GC-MS Spectrum - GC-MS (1 TMS)GC-MSsplash10-000i-2900000000-584579d62a5c494d1ad4
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-0i00-1960000000-c1d9d3d6c03ef447c682
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-MSGC-MSsplash10-000i-2900000000-584579d62a5c494d1ad4
GC-MS Spectrum - GC-MSGC-MSsplash10-0i00-1960000000-c1d9d3d6c03ef447c682
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001r-0900000000-87ae6338ccd9513f5db0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001r-1900000000-204e0c71178a372a67d0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-9800000000-f08ef5fe840b11c1330b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lu-5900000000-267cb39ae0470e212ce2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0079-9400000000-7ae0b50471ba90d5656c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9300000000-7580c3589d69535a4bb7

Taxonomy

Description
This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
L-alpha-amino acids
Alternative Parents
Amino acids / Selenoethers / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
Substituents
L-alpha-amino acid / Amino acid / Carboxylic acid / Monocarboxylic acid or derivatives / Selenoether / Amine / Hydrocarbon derivative / Organic oxide / Organopnictogen compound / Primary amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
non-proteinogenic L-alpha-amino acid, Se-methylselenocysteine, L-selenocysteine derivative (CHEBI:27812)

Drug created on October 20, 2016 17:40 / Updated on November 09, 2017 05:11