Aceneuramic acid

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

Identification

Name
Aceneuramic acid
Accession Number
DB11797
Type
Small Molecule
Groups
Investigational
Description

Aceneuramic acid has been used in trials studying the treatment of Distal Myopathy, Nonaka Type, Hereditary Inclusion Body Myopathy, and Distal Myopathy With Rimmed Vacuoles.

Structure
Thumb
Synonyms
  • Aceneuramic acid
  • Acidium aceneuramicum
  • Acido aceneuramico
External IDs
NPC-09 / UX-001 / UX001
Categories
UNII
GZP2782OP0
CAS number
131-48-6
Weight
Average: 309.2699
Monoisotopic: 309.105981211
Chemical Formula
C11H19NO9
InChI Key
KBGAYAKRZNYFFG-BOHATCBPSA-N
InChI
InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
IUPAC Name
(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
SMILES
CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO

Pharmacology

Indication
Not Available
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
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

References

General References
Not Available
External Links
PubChem Compound
14017587
PubChem Substance
347828146
ChemSpider
10292217
ChEMBL
CHEMBL2105945
ZINC
ZINC000004214715
PDBe Ligand
SI3
Wikipedia
N-Acetylneuraminic_acid
ATC Codes
M09AX05 — Aceneuramic acid
PDB Entries
4bwl / 4imf / 6rd1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHereditary Inclusion Body Myopathy (HIBM) / Nonaka Myopathy1
2CompletedTreatmentThrombocytopenia1
2TerminatedTreatmentDistal Myopathy With Rimmed Vacuoles / Distal Myopathy, Nonaka Type / GNE Myopathy / Hereditary Inclusion Body Myopathy (HIBM) / Inclusion Body Myopathy 2 / Quadriceps Sparing Myopathy1
3CompletedTreatmentDistal Myopathy With Rimmed Vacuoles / Distal Myopathy, Nonaka Type / GNE Myopathy / Hereditary Inclusion Body Myopathy (HIBM)1
3TerminatedTreatmentDistal Myopathy With Rimmed Vacuoles / Distal Myopathy, Nonaka Type / GNE Myopathy / Hereditary Inclusion Body Myopathy (HIBM) / Quadriceps Sparing Myopathy1

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 Solubility35.9 mg/mLALOGPS
logP-2.5ALOGPS
logP-4ChemAxon
logS-0.93ALOGPS
pKa (Strongest Acidic)2.95ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area184.62 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.31 m3·mol-1ChemAxon
Polarizability28.42 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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-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 sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Sugar acids and derivatives
Alternative Parents
Nonoses / Medium-chain keto acids and derivatives / Amino fatty acids / Hydroxy fatty acids / Alpha-keto acids and derivatives / Beta-hydroxy ketones / Acetamides / Alpha-hydroxy ketones / Secondary carboxylic acid amides / Secondary alcohols
show 8 more
Substituents
Acetamide / Alcohol / Aliphatic acyclic compound / Alpha-hydroxy ketone / Alpha-keto acid / Amino fatty acid / Beta-hydroxy ketone / Carbonyl group / Carboxamide group / Carboxylic acid
show 19 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:48 / Updated on June 12, 2020 10:53

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