PF-00489791

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

Identification

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Name
PF-00489791
Accession Number
DB11736
Type
Small Molecule
Groups
Investigational
Description

PF-00489791 has been used in trials studying the treatment of Hypertension, Raynaud's Disease, Diabetic Nephropathies, Hypertension, Pulmonary, and Peripheral Vascular Disease.

Structure
Thumb
Synonyms
Not Available
External IDs
PF-489,791 / UK-489,791
Categories
Not Available
UNII
2S27T3DSZ3
CAS number
853003-48-2
Weight
Average: 476.56
Monoisotopic: 476.195422588
Chemical Formula
C20H28N8O4S
InChI Key
ZUHZNKJIJDAJFD-UHFFFAOYSA-N
InChI
InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)
IUPAC Name
1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-N-methanesulfonyl-7-[(4-methylpyridin-2-yl)amino]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
SMILES
CCOCCN1N=C(C(=O)NS(C)(=O)=O)C2=NC(=NC(NC3=CC(C)=CC=N3)=C12)N(C)CC

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11465695
PubChem Substance
347828094
ChemSpider
9640533

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
2CompletedTreatmentDiabetic Nephropathies1
2CompletedTreatmentHigh Blood Pressure (Hypertension)1
2CompletedTreatmentPeripheral Vascular Disease (PVD) / Raynaud's Disease1
2CompletedTreatmentPostherpetic Neuralgia1
2TerminatedTreatmentPulmonary Hypertension (PH)1

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 Solubility0.132 mg/mLALOGPS
logP2.27ALOGPS
logP0.71ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.57ChemAxon
pKa (Strongest Basic)4.89ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area144.23 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity136.37 m3·mol-1ChemAxon
Polarizability51.09 Å3ChemAxon
Number of Rings3ChemAxon
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 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 pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Sub Class
Not Available
Direct Parent
Pyrazolopyrimidines
Alternative Parents
Pyrimidinecarboxamides / Pyrazole-5-carboxamides / Dialkylarylamines / Methylpyridines / Aminopyrimidines and derivatives / Aminopyridines and derivatives / Imidolactams / Organosulfonic acids and derivatives / Heteroaromatic compounds / Aminosulfonyl compounds
show 5 more
Substituents
Pyrimidinecarboxamide / Pyrazolopyrimidine / Dialkylarylamine / Pyrazole-5-carboxamide / Aminopyridine / Aminopyrimidine / Methylpyridine / Pyridine / Imidolactam / Pyrimidine
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:43 / Updated on June 04, 2019 07:26