Methionine sulfoximine

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

Identification

Generic Name
Methionine sulfoximine
DrugBank Accession Number
DB14103
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 180.22
Monoisotopic: 180.056863428
Chemical Formula
C5H12N2O3S
Synonyms
  • (2S)-2-Amino-4-(S-methylsufonimidoyl)butanoic acid
  • BUTANOIC ACID, 2-AMINO-4-(S-METHYLSULFONIMIDOYL)-, (2S)-
  • L-methionine sulfoximine
  • L-Methionine-S,R-sulfoximine
  • METHIONINE-DL-SULFOXIMINE
  • METHIONINE-DL-SULFOXIMINE, L-

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

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

Products

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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
LipoviteMethionine sulfoximine (1 mg/1mL) + Choline (1 mg/1mL) + Chromium (1 mg/1mL) + Citrulline (1 mg/1mL) + Dexpanthenol (1 mg/1mL) + Inositol (1 mg/1mL) + Levocarnitine (1 mg/1mL) + Lidocaine (1 mg/1mL) + Mecobalamin (1 mg/1mL) + Nicotinamide (1 mg/1mL) + Pyridoxine (1 mg/1mL) + Riboflavin (1 mg/1mL) + Thiamine chloride (1 mg/1mL)InjectionIntramuscularPerdido Key Health And Wellness Inc2015-11-23Not applicableUS flag
Mic B12Methionine sulfoximine (1 mg/1mL) + Choline C-11 (1 mg/1mL) + Inositol (1 mg/1mL) + Mecobalamin (1 mg/1mL)InjectionIntramuscularPerdido Key Health And Wellness Inc2015-11-23Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
M9P6YZ6JX9
CAS number
15985-39-4
InChI Key
SXTAYKAGBXMACB-DPVSGNNYSA-N
InChI
InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
IUPAC Name
(2S)-2-amino-4-[imino(methyl)oxo-lambda6-sulfanyl]butanoic acid
SMILES
CS(=N)(=O)CC[C@H](N)C(O)=O

References

General References
Not Available
KEGG Compound
C03829
ChemSpider
80339
RxNav
1722382
ChEBI
87826
ChEMBL
CHEMBL143324
PDBe Ligand
MSL
Wikipedia
Methionine_sulfoximine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
InjectionIntramuscular
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility7.39 mg/mLALOGPS
logP-3ALOGPS
logP-4.4Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.89Chemaxon
pKa (Strongest Basic)9.09Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area104.24 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity40.22 m3·mol-1Chemaxon
Polarizability17.19 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/MSsplash10-03di-1900000000-4e4867a2bdf808ebb1bc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9200000000-85a41cd2302670789aa0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-4a60c3c40730eb05044b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9200000000-359dabe8538d68796e41
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-1aebe9da64a2ca504a61
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-9000000000-6379312b8cd143887745
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-139.5000832
predicted
DarkChem Lite v0.1.0
[M+H]+139.9150832
predicted
DarkChem Lite v0.1.0
[M+Na]+139.8238832
predicted
DarkChem Lite v0.1.0

Drug created at June 21, 2018 15:58 / Updated at September 29, 2023 14:17