ALT-2074

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

Identification

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Name
ALT-2074
Accession Number
DB05631
Type
Small Molecule
Groups
Investigational
Description

An organoselenium drug previously studied by Oxis International in Phase-II clinical trials for ulcerative colitis patients. Some indications of efficacy were demonstrated. BXT-51072 has enthusiastic endorsement for treatment in cardiovascular indications, primarily because of its ability to mimic the function of glutathione peroxidase.

Structure
Thumb
Synonyms
Not Available
External IDs
ALT-2074 / BXT 51072 / BXT-51072 / SYI 2074 / SYI-2074
Categories
UNII
634U7OUR4R
CAS number
173026-17-0
Weight
Average: 226.18
Monoisotopic: 227.021321249
Chemical Formula
C10H13NSe
InChI Key
FXRYWOJYVGJZLE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NSe/c1-10(2)7-11-12-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
IUPAC Name
4,4-dimethyl-3,4-dihydro-2H-1,2-benzoselenazine
SMILES
CC1(C)CN[Se]C2=CC=CC=C12

Pharmacology

Indication

Investigated for use/treatment in cardiovascular disorders and diabetes mellitus type 1 and 2.

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

2.08 (+/-0.17) hours.

Clearance

24.15 (+/-2.38) (ml min-1kg-1).

Toxicity

IC50 2.0–2.6 μM.

Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
  1. Greenblatt DJ, Peters DE, Oleson LE, Harmatz JS, MacNab MW, Berkowitz N, Zinny MA, Court MH: Inhibition of oral midazolam clearance by boosting doses of ritonavir, and by 4,4-dimethyl-benziso-(2H)-selenazine (ALT-2074), an experimental catalytic mimic of glutathione oxidase. Br J Clin Pharmacol. 2009 Dec;68(6):920-7. doi: 10.1111/j.1365-2125.2009.03545.x. [PubMed:20002087]
  2. von Moltke LL, Greenblatt DJ, Schmider J, Harmatz JS, Shader RI: Metabolism of drugs by cytochrome P450 3A isoforms. Implications for drug interactions in psychopharmacology. Clin Pharmacokinet. 1995;29 Suppl 1:33-43; discussion 43-4. [PubMed:8846621]
  3. Link [Link]
External Links
ChemSpider
115187

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcute Coronary Syndromes (ACS) / Type 2 Diabetes Mellitus1
2CompletedTreatmentCoronary Artery Disease / Diabetes Mellitus (DM)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 Solubility5.81 mg/mLALOGPS
logP1.65ALOGPS
logP2.55ChemAxon
logS-1.6ALOGPS
pKa (Strongest Basic)5.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity70.38 m3·mol-1ChemAxon
Polarizability19.4 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Not Available
Sub Class
Not Available
Direct Parent
Benzenoids
Alternative Parents
Azacyclic compounds / Organoselenium compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Benzenoid / Azacycle / Organoheterocyclic compound / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organoselenium compound / Organonitrogen compound / Aromatic heteropolycyclic compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on November 18, 2007 11:26 / Updated on June 04, 2019 06:18