NAV

AIT-034

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

Identification

Generic Name
AIT-034
DrugBank Accession Number
DB06106
Background

AIT-034 is a distinct chemical analog of hypoxanthine and pyrollidone that has been demonstrated in animal studies to enhance memory and to reverse memory deficits in severely impaired animals that do not respond to Neotrofin. AIT-034 does not induce the production of NGF, and its mechanism of action is therefore believed to be different than Neotrofin. There is some evidence that AIT-034 could complement Neotrofin as a treatment for Alzheimer's disease and dementia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 332.364
Monoisotopic: 332.159688528
Chemical Formula
C15H20N6O3
Synonyms
Not Available
External IDs
  • AIT-034
  • AIT-34
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

Investigated for use/treatment in dementia.

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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyrimidines
Sub Class
Purines and purine derivatives
Direct Parent
Hypoxanthines
Alternative Parents
6-oxopurines / Pyrimidones / Pyrrolidine-2-ones / N-substituted imidazoles / N-alkylpyrrolidines / Vinylogous amides / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Lactams
show 5 more
Substituents
2-pyrrolidone / 6-oxopurine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5F3GZ8G54Z
CAS number
138117-48-3
InChI Key
FBVDVFULNXWYRF-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N6O3/c22-11(16-5-2-7-20-6-1-3-12(20)23)4-8-21-10-19-13-14(21)17-9-18-15(13)24/h9-10H,1-8H2,(H,16,22)(H,17,18,24)
IUPAC Name
3-(6-oxo-6,9-dihydro-3H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILES
O=C(CCN1C=NC2=C1NC=NC2=O)NCCCN1CCCC1=O

References

General References
Not Available
ChemSpider
8081286

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility2.8 mg/mLALOGPS
logP-0.54ALOGPS
logP-1.5Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)10.96Chemaxon
pKa (Strongest Basic)2.99Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area108.69 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity86.75 m3·mol-1Chemaxon
Polarizability34.25 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-001i-0409000000-c16b2d0cf711b1535399
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0319000000-f06de73eff07e4a0e886
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000y-0913000000-ad2f7defbd9d9d5be222
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0932000000-efe826807c0372591b82
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002u-1941000000-baca40bbaecf7809c7cb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a5l-1931000000-1bb5ff9be2783b1f5964
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2007 18:30 / Updated at June 12, 2020 16:52