NAV

Oxothiazolidinecarboxylic acid

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

Identification

Generic Name
Oxothiazolidinecarboxylic acid
DrugBank Accession Number
DB12224
Background

Procysteine has been used in trials studying the treatment of HIV Infections.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 147.15
Monoisotopic: 146.999014199
Chemical Formula
C4H5NO3S
Synonyms
  • (-)-2-OXO-4-THIAZOLIDINECARBOXYLIC ACID
  • (R)-2-OXOTHIAZOLIDINE-4-CARBOXYLIC ACID
  • 2-OXO-4-THIAZOLIDINECARBOXYLIC ACID, L-
  • 2-OXO-L-THIAZOLIDINE-4-CARBOXYLIC ACID
  • 4-THIAZOLIDINECARBOXYLIC ACID, 2-OXO-, (R)-
  • L-2-OXO-4-THIAZOLIDINECARBOXYLIC ACI
  • L-2-oxothiazolidine-4-carboxylic acid
  • Procysteine
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Thiazolines / Propargyl-type 1,3-dipolar organic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic heteromonocyclic compound / Alpha-amino acid or derivatives / Azacycle / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Meta-thiazoline / Monocarboxylic acid or derivatives / Organic 1,3-dipolar compound / Organic nitrogen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
X7063P804E
CAS number
19771-63-2
InChI Key
BMLMGCPTLHPWPY-REOHCLBHSA-N
InChI
InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
IUPAC Name
(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILES
OC(=O)[C@@H]1CSC(=O)N1

References

General References
Not Available
PubChem Compound
72390
PubChem Substance
347828503
ChemSpider
65323
BindingDB
50357221
RxNav
1926836
ChEBI
125673
ChEMBL
CHEMBL442218
ZINC
ZINC000003787577

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1

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 Solubility44.3 mg/mLALOGPS
logP-0.77ALOGPS
logP-0.17Chemaxon
logS-0.52ALOGPS
pKa (Strongest Acidic)3.19Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.4 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity31.35 m3·mol-1Chemaxon
Polarizability12.45 Å3Chemaxon
Number of Rings1Chemaxon
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-MSsplash10-0005-9200000000-123302248de745c5cc17
GC-MS Spectrum - EI-BGC-MSsplash10-0udi-1900000000-e5d38c37a5f7e1313f65
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-286f9c49721d89f12491
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxu-5900000000-d5deb4913dde932cf80f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-2900000000-ed9b551e55d32d958b03
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-18b88b7f5e97412fcbb7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08mi-9300000000-28884bd02d7f7a51b67c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-9000000000-a751674539307aecef69
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]-126.01491
predicted
DeepCCS 1.0 (2019)
[M+H]+129.34688
predicted
DeepCCS 1.0 (2019)
[M+Na]+138.31993
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:40 / Updated at July 18, 2023 22:57