PF-00489791
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PF-00489791
- DrugBank Accession Number
- DB11736
- Background
PF-00489791 has been used in trials studying the treatment of Hypertension, Raynaud's Disease, Diabetic Nephropathies, Hypertension, Pulmonary, and Peripheral Vascular Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 476.56
Monoisotopic: 476.195422588 - Chemical Formula
- C20H28N8O4S
- Synonyms
- Not Available
- External IDs
- PF-489,791
- UK-489,791
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Chemical TaxonomyProvided by Classyfire
- 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
- Amine / Aminopyridine / Aminopyrimidine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Azacycle / Azole / Carboxylic acid derivative / Dialkyl ether / Dialkylarylamine show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2S27T3DSZ3
- CAS number
- 853003-48-2
- 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
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Diabetic Nephropathy 1 2 Completed Treatment Hypertension 1 2 Completed Treatment Peripheral Vascular Disease Patient / Raynaud's Phenomenon 1 2 Completed Treatment Postherpetic Neuralgia 1 2 Terminated Treatment Pulmonary 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
Property Value Source Water Solubility 0.132 mg/mL ALOGPS logP 2.27 ALOGPS logP 0.71 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 3.57 Chemaxon pKa (Strongest Basic) 4.89 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 144.23 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 136.37 m3·mol-1 Chemaxon Polarizability 51.09 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-bb8a82a928faf98a4d96 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-2003900000-3e6509f29d0f190836ee Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-08fr-0029100000-dfa840c4a0ac8204534e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01q0-0009000000-f46b1e6c244b9c87d7cd Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0563-1159100000-4f334ace4f58d959be18 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-08fr-0009000000-a0dda7586c95dcef2b5e Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 207.00815 predictedDeepCCS 1.0 (2019) [M+H]+ 209.4037 predictedDeepCCS 1.0 (2019) [M+Na]+ 215.31624 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:43 / Updated at June 12, 2020 16:53