NAV

alpha-Pyrrolidinononanophenone

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

Identification

Generic Name
alpha-Pyrrolidinononanophenone
DrugBank Accession Number
DB05531
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 287.447
Monoisotopic: 287.224914558
Chemical Formula
C19H29NO
Synonyms
  • alpha-Pnp
  • alpha-Pyrrolidinononanophenone
External IDs
  • PV-10
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Pharmacology

Indication

Investigated for use/treatment in actinic keratosis, breast cancer, liver cancer, melanoma, psoriasis and psoriatic disorders, and solid tumors.

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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

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones / Benzoyl derivatives / Aryl alkyl ketones / N-alkylpyrrolidines / Alpha-amino ketones / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Alkyl-phenylketone / Alpha-aminoketone / Amine / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Azacycle / Benzenoid / Benzoyl / Butyrophenone / Hydrocarbon derivative
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
S3FKL8RY1D
CAS number
13415-58-2
InChI Key
RYJXAZXFWIWTOJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3
IUPAC Name
1-phenyl-2-(pyrrolidin-1-yl)nonan-1-one
SMILES
CCCCCCCC(N1CCCC1)C(=O)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
59713400
Wikipedia
PV-10

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentCutaneous Melanoma1
1Active Not RecruitingTreatmentNeuroendocrine Tumors Metastatic to the Liver1
1CompletedTreatmentBreast Cancer1
1CompletedTreatmentMelanoma2
1, 2Active Not RecruitingTreatmentMelanoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00492 mg/mLALOGPS
logP5.25ALOGPS
logP5.14Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)17.87Chemaxon
pKa (Strongest Basic)7.81Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area20.31 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity89.45 m3·mol-1Chemaxon
Polarizability35.41 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0290000000-b19877bcbe51f044f8ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-e2c5debef98ee66dba1c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-7940000000-eb528d6fb96889a4dde1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1290000000-a4e6a9560b90944e7957
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05di-9430000000-63da538d5905f66c62c4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bvi-7890000000-a1d29e839fba281ee199
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2007 18:25 / Updated at June 12, 2020 16:52