NAV

Desmeninol

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

Identification

Summary

Desmeninol is an amino acid derivative indicated in the management of balanced protein metabolism in patients with renal dysfunction.

Generic Name
Desmeninol
DrugBank Accession Number
DB15832
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 150.19
Monoisotopic: 150.035065356
Chemical Formula
C5H10O3S
Synonyms
  • 2-Hydroxy-4-(methylthio) butanoic acid
  • 2-Hydroxy-4-(methylthio)butanoic acid
  • alpha-Hydroxy-gamma-(methylmercapto)butyric acid
  • alpha-Hydroxy-gamma-(methylthio)butyric acid
  • Desmeninol
  • DL-2-hydroxy-4-(methylthio)-butyric acid
  • Methionine hydroxy analog
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to treatAcute renal dysfunctionCombination Product in combination with: Threonine (DB00156), alpha-Ketoisocaproic acid (DB03229), Histidine (DB00117), Tyrosine (DB00135), Lysine (DB00123)••••••••••••••••••• ••••••
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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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Product Ingredients
IngredientUNIICASInChI Key
Desmeninol calcium1VK0YS654L4857-44-7ABRVDWASZFDIEH-UHFFFAOYSA-L

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Z94465H1Y7
CAS number
583-91-5
InChI Key
ONFOSYPQQXJWGS-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
IUPAC Name
2-hydroxy-4-(methylsulfanyl)butanoic acid
SMILES
CSCCC(O)C(O)=O

References

General References
  1. AIFA Package Leaflet: ALFA KAPPA (ketoisoleucine, ketoleucine, ketophenylalanine, ketovaline, hydroxy-methionine, L-Lysine, threonine, histidine, tyrosine) oral tablets [Link]
Human Metabolome Database
HMDB0037115
ChemSpider
10946
RxNav
1738095
ChEBI
137228
ChEMBL
CHEMBL2104213
PDBe Ligand
H9L
PDB Entries
7wdw

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentDiabetic Nephropathy1
4Unknown StatusTreatmentMuscular Atrophy1
3RecruitingSupportive CareNephrotic Syndrome1
2, 3Not Yet RecruitingTreatmentHemodialysis Treatment / Kidney Function1
1, 2CompletedBasic ScienceRenal Insufficiency,Chronic1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, coatedOral
Drug delivery systemOral0.105 g
TabletOral105.000 mg
TabletOral67.000 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility40.9 mg/mLALOGPS
logP-0.4ALOGPS
logP0.18Chemaxon
logS-0.56ALOGPS
pKa (Strongest Acidic)4.03Chemaxon
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area57.53 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity35.93 m3·mol-1Chemaxon
Polarizability15.07 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/MSsplash10-052r-9400000000-c1fe82fa24f914598c56
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-9000000000-132487f1875552bc8716
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-9100000000-97978e6209b58c6ca711
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-9000000000-e1a02ab272d81e73fbc3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-ca41e84cec656b6a480f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-9000000000-4a39218686f53739161d
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]-129.4856584
predicted
DarkChem Lite v0.1.0
[M-H]-129.37224
predicted
DeepCCS 1.0 (2019)
[M+H]+130.8647584
predicted
DarkChem Lite v0.1.0
[M+H]+132.13597
predicted
DeepCCS 1.0 (2019)
[M+Na]+129.7787584
predicted
DarkChem Lite v0.1.0
[M+Na]+140.49535
predicted
DeepCCS 1.0 (2019)

Drug created at September 14, 2020 18:52 / Updated at May 14, 2021 01:08