NAV

Tramiprosate

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

Identification

Generic Name
Tramiprosate
DrugBank Accession Number
DB06527
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 139.173
Monoisotopic: 139.030313849
Chemical Formula
C3H9NO3S
Synonyms
  • Tramiprosate
External IDs
  • NC-531
  • NSC-77071
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Pharmacology

Indication

Investigated for use/treatment in strokes and alzheimer's disease.

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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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Tramiprosate is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Tramiprosate.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Tramiprosate.
AgomelatineThe risk or severity of CNS depression can be increased when Tramiprosate is combined with Agomelatine.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Tramiprosate.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tramiprosate sodium8MH9189W5314650-46-5KMGJRCNLDZGSFX-UHFFFAOYSA-M
International/Other Brands
Alzhemed / Cerebril

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Sub Class
Organosulfonic acids and derivatives
Direct Parent
Organosulfonic acids
Alternative Parents
Sulfonyls / Alkanesulfonic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Alkanesulfonic acid / Amine / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organopnictogen compound / Organosulfonic acid
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
organosulfonic acid (CHEBI:1457)
Affected organisms
Not Available

Chemical Identifiers

UNII
5K8EAX0G53
CAS number
3687-18-1
InChI Key
SNKZJIOFVMKAOJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
IUPAC Name
3-aminopropane-1-sulfonic acid
SMILES
NCCCS(O)(=O)=O

References

General References
Not Available
KEGG Drug
D06202
KEGG Compound
C03349
ChemSpider
1584
BindingDB
50281573
RxNav
1374845
ChEBI
1457
ChEMBL
CHEMBL149082
ZINC
ZINC000001529636
PDBe Ligand
A20
Wikipedia
Homotaurine
PDB Entries
4fow

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Unknown StatusTreatmentAlzheimer's Disease (AD)1

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility73.9 mg/mLALOGPS
logP-2ALOGPS
logP-2.6Chemaxon
logS-0.27ALOGPS
pKa (Strongest Acidic)-0.99Chemaxon
pKa (Strongest Basic)10.19Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area80.39 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity29.47 m3·mol-1Chemaxon
Polarizability12.84 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-MSsplash10-001i-9000000000-a6a2e92e973b68960011
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-ba02a6938586689100f2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-a8666eaaa0661fe22060
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2900000000-5b75e27c86ed27ce2ba9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-059x-9500000000-5c1db62ee447ab3e539f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-57c8e7ef35ad43714b2c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-cc45223193d489caf68f
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]-126.6254474
predicted
DarkChem Lite v0.1.0
[M-H]-129.43512
predicted
DeepCCS 1.0 (2019)
[M+H]+126.8406474
predicted
DarkChem Lite v0.1.0
[M+H]+132.20016
predicted
DeepCCS 1.0 (2019)
[M+Na]+126.4804474
predicted
DarkChem Lite v0.1.0
[M+Na]+140.42564
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:36 / Updated at February 21, 2021 18:52