NAV

Aceneuramic acid

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

Identification

Generic Name
Aceneuramic acid
DrugBank Accession Number
DB11797
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 309.2699
Monoisotopic: 309.105981211
Chemical Formula
C11H19NO9
Synonyms
  • Aceneuramic acid
  • Acidium aceneuramicum
  • Acido aceneuramico
External IDs
  • NPC-09
  • UX-001
  • UX001
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Pharmacology

Indication

Not Available

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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

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

ATC Codes
M09AX05 — Aceneuramic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Affected organisms
Not Available

Chemical Identifiers

UNII
GZP2782OP0
CAS number
131-48-6
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

References

General References
Not Available
PubChem Compound
14017587
PubChem Substance
347828146
ChemSpider
10292217
RxNav
2613558
ChEMBL
CHEMBL2105945
ZINC
ZINC000004214715
PDBe Ligand
SI3
Wikipedia
N-Acetylneuraminic_acid
PDB Entries
4bwl / 4imf / 6rd1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDistal Myopathy With Rimmed Vacuoles (DMRV) / GNE Myopathy2
3TerminatedTreatmentDistal Myopathy With Rimmed Vacuoles (DMRV) / GNE Myopathy / Quadriceps Sparing Myopathy (QSM)1
2CompletedTreatmentThrombocytopenia1
2TerminatedTreatmentDistal Myopathy With Rimmed Vacuoles (DMRV) / GNE Myopathy / Inclusion Body Myopathy 2 / Quadriceps Sparing Myopathy (QSM)1
1CompletedTreatmentGNE 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-MSsplash10-01ox-9460000000-2be5efbcb3fa1ccd507f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-0394000000-801fa454889f9cc02bb4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0590000000-259e7941aa2ef6867b31
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0233-1910000000-fd8ffb3ec04c1000d246
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxv-1910000000-9655943fd71dc24f8641
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00du-9500000000-4ba314bdae48e1be2370
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0jb9-2900000000-904c5199f4aa4b01c64f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-177.1944514
predicted
DarkChem Lite v0.1.0
[M-H]-178.0758514
predicted
DarkChem Lite v0.1.0
[M-H]-171.49904
predicted
DeepCCS 1.0 (2019)
[M+H]+176.8764514
predicted
DarkChem Lite v0.1.0
[M+H]+177.4994514
predicted
DarkChem Lite v0.1.0
[M+H]+173.39445
predicted
DeepCCS 1.0 (2019)
[M+Na]+177.1914514
predicted
DarkChem Lite v0.1.0
[M+Na]+177.7225514
predicted
DarkChem Lite v0.1.0
[M+Na]+179.18584
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:48 / Updated at February 21, 2021 18:53