Aspartyl-alanyl-diketopiperazine

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

Identification

Name
Aspartyl-alanyl-diketopiperazine
Accession Number
DB14940
Description

Aspartyl-alanyl-diketopiperazine is under investigation in clinical trial NCT03349645 (An Open Label Extension Study to Assess the Safety of Long-Term Treatment With Ampion for Severe OA of the Knee).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 186.167
Monoisotopic: 186.06405681
Chemical Formula
C7H10N2O4
Synonyms
Not Available

Pharmacology

Indication
Not Available
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
Affected organisms
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

Products

International/Other Brands
Ampion

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
2,5-dioxopiperazines / Secondary carboxylic acid amides / Lactams / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
1,4-diazinane / 2,5-dioxopiperazine / Aliphatic heteromonocyclic compound / Alpha-amino acid or derivatives / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid / Dioxopiperazine / Hydrocarbon derivative
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
R9CHM391D5
CAS number
110954-19-3
InChI Key
RVLCUCVJZVRNDC-IMJSIDKUSA-N
InChI
InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)/t3-,4-/m0/s1
IUPAC Name
2-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]acetic acid
SMILES
C[[email protected]@H]1NC(=O)[[email protected]](CC(O)=O)NC1=O

References

General References
Not Available
ChemSpider
7991203
ZINC
ZINC000033961611

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentSevere Osteoarthritis of the Knee1
3CompletedTreatmentArthritis of the Knee Joint / Knee Pain Chronic / Osteoarthritis of the Knee1
3CompletedTreatmentOsteoarthritis of the Knee4
3TerminatedTreatmentSevere Osteoarthritis of the Knee1
1Active Not RecruitingTreatmentNovel Coronavirus Infectious Disease (COVID-19)1
1CompletedTreatmentOsteoarthritis of the Hands1
1, 2CompletedTreatmentOsteoarthritis of the Knee1

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 Solubility9.14 mg/mLALOGPS
logP-1.4ALOGPS
logP-1.7ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)4.02ChemAxon
pKa (Strongest Basic)-4.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area95.5 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity40.63 m3·mol-1ChemAxon
Polarizability16.87 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
Not Available

Drug created on May 20, 2019 08:36 / Updated on June 12, 2020 10:53

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