Pyrazoloacridine

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

Identification

Name
Pyrazoloacridine
Accession Number
DB12549
Type
Small Molecule
Groups
Investigational
Description

Pyrazoloacridine has been used in trials studying the treatment of Lung Cancer, Liver Cancer, Breast Cancer, Melanoma (Skin), and Metastatic Cancer, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
PD 115934 / PD-115934
Product Ingredients
Not Available
Approved Prescription Products
Not Available
Approved Generic Prescription Products
Not Available
Approved Over the Counter Products
Not Available
Unapproved/Other Products
Not Available
International/Other Brands
Not Available
Brand mixtures
Not Available
Categories
UNII
L24XJN68OW
CAS number
99009-20-8
Weight
Average: 367.409
Monoisotopic: 367.164439556
Chemical Formula
C19H21N5O3
InChI Key
HZCWPKGYTCJSEB-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3
IUPAC Name
(3-{4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl}propyl)dimethylamine
SMILES
COC1=CC=C2NC3=C4C(=CC=C3[N+]([O-])=O)N(CCCN(C)C)N=C4C2=C1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Pyrazoloacridine.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Pyrazoloacridine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Pyrazoloacridine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Pyrazoloacridine.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Pyrazoloacridine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Pyrazoloacridine.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Pyrazoloacridine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Pyrazoloacridine.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Pyrazoloacridine.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Pyrazoloacridine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Pyrazoloacridine.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Pyrazoloacridine.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
ChemSpider
10664646
ChEMBL
CHEMBL118841
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentDisseminated Neuroblastoma / Recurrent Neuroblastoma1
1, 2CompletedTreatmentBrain and Central Nervous System Tumors1
2CompletedTreatmentBrain and Central Nervous System Tumors1
2CompletedTreatmentCancer, Breast2
2CompletedTreatmentIntraocular Melanoma / Melanoma (Skin)1
2CompletedTreatmentLung Cancers1
2WithdrawnTreatmentLiver Cancer / Metastatic Cancers1

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 Solubility0.159 mg/mLALOGPS
logP3.03ALOGPS
logP-0.71ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)4.9ChemAxon
pKa (Strongest Basic)9.66ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area89.22 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity114 m3·mol-1ChemAxon
Polarizability39.72 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 LC-MS/MS Spectrum - 10V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 10V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, NegativePredicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Benzoquinolines
Direct Parent
Acridines
Alternative Parents
Indazoles / Nitroaromatic compounds / Anisoles / Alkyl aryl ethers / Pyridines and derivatives / Pyrazoles / Heteroaromatic compounds / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds
show 5 more
Substituents
Acridine / Benzopyrazole / Indazole / Nitroaromatic compound / Anisole / Phenol ether / Alkyl aryl ether / Pyridine / Benzenoid / Azole
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Drug created on October 20, 2016 16:48 / Updated on September 01, 2017 12:22