NAV

Pyroxamide

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

Identification

Generic Name
Pyroxamide
DrugBank Accession Number
DB12847
Background

Pyroxamide has been used in trials studying the treatment of Leukemia, Lymphoma, Small Intestine Cancer, Precancerous Condition, and Myelodysplastic Syndromes, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 265.313
Monoisotopic: 265.142641484
Chemical Formula
C13H19N3O3
Synonyms
Not Available
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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
TargetActionsOrganism
UHistone deacetylase
inhibitor
Humans
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Not Available
Direct Parent
Pyridines and derivatives
Alternative Parents
Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Aromatic heteromonocyclic compound / Azacycle / Carboximidic acid / Carboximidic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Organic 1,3-dipolar compound / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
12N86DSS23
CAS number
382180-17-8
InChI Key
PTJGLFIIZFVFJV-UHFFFAOYSA-N
InChI
InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)
IUPAC Name
N-hydroxy-N'-(pyridin-3-yl)octanediamide
SMILES
ONC(=O)CCCCCCC(=O)NC1=CN=CC=C1

References

General References
Not Available
PubChem Compound
4996
PubChem Substance
347829008
ChemSpider
4822
ChEBI
93953
ChEMBL
CHEMBL353581
ZINC
ZINC000003820709

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentChronic Myeloproliferative Disorders / Leukemias / Lymphoma / Multiple Myeloma and Plasma Cell Neoplasm / Myelodysplastic Syndrome / Precancerous Conditions / Small Intestine Cancer / Unspecified Adult Solid Tumor, Protocol Specific1

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 Solubility0.24 mg/mLALOGPS
logP0.58ALOGPS
logP0.79Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)8.91Chemaxon
pKa (Strongest Basic)4.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area91.32 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity71.65 m3·mol-1Chemaxon
Polarizability28.27 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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-MSsplash10-01rx-5920000000-caec3c4754ca112884e8
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0159-1490000000-05968714e37dd35b3a0a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00o0-0390000000-d425934db96bb0aaca83
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05nf-9480000000-dfadd1e4171977688229
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0292-6890000000-aeb8cafb5c205e1d9ae6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9210000000-2867e8cd45dbf9052db8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000t-9420000000-dc00e623e690e14fe983
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]-177.7792417
predicted
DarkChem Lite v0.1.0
[M-H]-162.6108
predicted
DeepCCS 1.0 (2019)
[M+H]+179.2714417
predicted
DarkChem Lite v0.1.0
[M+H]+164.9688
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.0698417
predicted
DarkChem Lite v0.1.0
[M+Na]+171.06192
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Histone deacetylase (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Transcription regulatory region sequence-specific dna binding
Specific Function
Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an impo...
Components:
NameUniProt ID
Histone deacetylase 1Q13547
Histone deacetylase 10Q969S8
Histone deacetylase 11Q96DB2
Histone deacetylase 2Q92769
Histone deacetylase 3O15379
Histone deacetylase 4P56524
Histone deacetylase 5Q9UQL6
Histone deacetylase 6Q9UBN7
Histone deacetylase 7Q8WUI4
Histone deacetylase 8Q9BY41
Histone deacetylase 9Q9UKV0
References
  1. Butler LM, Webb Y, Agus DB, Higgins B, Tolentino TR, Kutko MC, LaQuaglia MP, Drobnjak M, Cordon-Cardo C, Scher HI, Breslow R, Richon VM, Rifkind RA, Marks PA: Inhibition of transformed cell growth and induction of cellular differentiation by pyroxamide, an inhibitor of histone deacetylase. Clin Cancer Res. 2001 Apr;7(4):962-70. [Article]
  2. Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94. [Article]
  3. Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921. [Article]

Drug created at October 21, 2016 00:42 / Updated at May 03, 2022 16:50