Piritramide

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

Identification

Name
Piritramide
Accession Number
DB12492
Type
Small Molecule
Groups
Approved, Investigational
Description

Piritramide is under investigation for the treatment of Colon Cancer and Minimal Residual Disease. Piritramide has been investigated for the supportive care of Pain, Postoperative and Postoperative Nausea and Vomiting.

Structure
Thumb
Synonyms
Not Available
External IDs
IDS-NP-013 / R 3365
Categories
UNII
4RP92LYZ2F
CAS number
302-41-0
Weight
Average: 430.5851
Monoisotopic: 430.27326173
Chemical Formula
C27H34N4O
InChI Key
IHEHEFLXQFOQJO-UHFFFAOYSA-N
InChI
InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
IUPAC Name
1-(3-cyano-3,3-diphenylpropyl)-4-(piperidin-1-yl)piperidine-4-carboximidic acid
SMILES
OC(=N)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1

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
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of serotonin syndrome can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Piritramide.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may increase the analgesic activities of Piritramide.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of serotonin syndrome can be increased when Piritramide is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineThe risk or severity of serotonin syndrome can be increased when 3,4-Methylenedioxyamphetamine is combined with Piritramide.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of serotonin syndrome can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Piritramide.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of serotonin syndrome can be increased when Piritramide is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Piritramide.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of serotonin syndrome can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Piritramide.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Piritramide.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Piritramide.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0041990
PubChem Compound
9331
PubChem Substance
347828727
ChemSpider
8967
ChEBI
135699
ChEMBL
CHEMBL559288
Wikipedia
Piritramide
ATC Codes
N02AC03 — Piritramide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedSupportive CarePost-Operative Nausea and Vomiting (PONV) / Postoperative pain1
4CompletedTreatmentPostoperative pain1
4RecruitingTreatmentMalignant Neoplasm of Colon / Minimal Residual Disease1

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 Solubility0.0185 mg/mLALOGPS
logP3.58ALOGPS
logP1.45ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)2.71ChemAxon
pKa (Strongest Basic)9.44ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.35 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity150.74 m3·mol-1ChemAxon
Polarizability49.27 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylacetonitriles
Direct Parent
Diphenylacetonitriles
Alternative Parents
Diphenylmethanes / Alpha amino acid amides / Piperidinecarboxamides / Aralkylamines / Aminopiperidines / Trialkylamines / Primary carboxylic acid amides / Nitriles / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Diphenylacetonitrile / Diphenylmethane / Alpha-amino acid amide / Alpha-amino acid or derivatives / Piperidinecarboxamide / 4-aminopiperidine / Aralkylamine / Piperidine / Amino acid or derivatives / Carboxamide group
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:35 / Updated on October 08, 2018 21:36