Methionine sulfoximine
Star0
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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Lipovite Methionine 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) Injection Intramuscular Perdido Key Health And Wellness Inc 2015-11-23 Not applicable US Mic B12 Methionine sulfoximine (1 mg/1mL) + Choline C-11 (1 mg/1mL) + Inositol (1 mg/1mL) + Mecobalamin (1 mg/1mL) Injection Intramuscular Perdido Key Health And Wellness Inc 2015-11-23 Not applicable US
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
- External Links
- KEGG Compound
- C03829
- ChemSpider
- 80339
- 1722382
- ChEBI
- 87826
- ChEMBL
- CHEMBL143324
- PDBe Ligand
- MSL
- Wikipedia
- Methionine_sulfoximine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection Intramuscular - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.39 mg/mL ALOGPS logP -3 ALOGPS logP -4.4 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 1.89 Chemaxon pKa (Strongest Basic) 9.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 104.24 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 40.22 m3·mol-1 Chemaxon Polarizability 17.19 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-1900000000-4e4867a2bdf808ebb1bc Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9200000000-85a41cd2302670789aa0 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-9000000000-4a60c3c40730eb05044b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9200000000-359dabe8538d68796e41 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-9000000000-1aebe9da64a2ca504a61 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-9000000000-6379312b8cd143887745 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 139.5000832 predictedDarkChem Lite v0.1.0 [M+H]+ 139.9150832 predictedDarkChem Lite v0.1.0 [M+Na]+ 139.8238832 predictedDarkChem Lite v0.1.0
Drug created at June 21, 2018 15:58 / Updated at September 29, 2023 14:17