AIT-034
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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
- Weight
- Average: 332.364
Monoisotopic: 332.159688528 - Chemical Formula
- C15H20N6O3
- Synonyms
- Not Available
- External IDs
- AIT-034
- AIT-34
Pharmacology
- Indication
Investigated for use/treatment in dementia.
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 8081286
Clinical Trials
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
Property Value Source Water Solubility 2.8 mg/mL ALOGPS logP -0.54 ALOGPS logP -1.5 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 10.96 Chemaxon pKa (Strongest Basic) 2.99 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 108.69 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 86.75 m3·mol-1 Chemaxon Polarizability 34.25 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0409000000-c16b2d0cf711b1535399 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0319000000-f06de73eff07e4a0e886 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000y-0913000000-ad2f7defbd9d9d5be222 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0932000000-efe826807c0372591b82 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-002u-1941000000-baca40bbaecf7809c7cb Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a5l-1931000000-1bb5ff9be2783b1f5964 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2007 18:30 / Updated at June 12, 2020 16:52