SCH-900271
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- SCH-900271
- DrugBank Accession Number
- DB12433
- Background
Sch 900271 has been used in trials studying the treatment of Mixed Hyperlipidemia and Primary Hypercholesterolemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 276.292
Monoisotopic: 276.111007003 - Chemical Formula
- C14H16N2O4
- Synonyms
- Not Available
- External IDs
- SCH 900271
Pharmacology
- Indication
Not Available
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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
- 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyranopyrimidines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyrimidine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyranopyrimidines
- Sub Class
- Not Available
- Direct Parent
- Pyranopyrimidines
- Alternative Parents
- Pyranopyridines / Pyrimidones / Pyranones and derivatives / Pyridines and derivatives / Vinylogous amides / Heteroaromatic compounds / Ureas / Lactones / Lactams / Oxacyclic compounds show 5 more
- Substituents
- Aromatic heteropolycyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Lactam / Lactone / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound show 11 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- G2283XQ6VJ
- CAS number
- 915210-50-3
- InChI Key
- ARJKMWXLIHZLQZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
- IUPAC Name
- 5-[3-(1-methylcyclopropyl)propyl]-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidine-2,4,7-trione
- SMILES
- CC1(CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3)CC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 56950369
- PubChem Substance
- 347828675
- ChemSpider
- 28518389
- BindingDB
- 50384612
- ChEMBL
- CHEMBL2036958
- ZINC
- ZINC000096902468
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Mixed Hyperlipidemia / Primary Hypercholesterolemia 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 0.218 mg/mL ALOGPS logP 1.88 ALOGPS logP 1.52 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 7.51 Chemaxon pKa (Strongest Basic) -5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.5 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 79.98 m3·mol-1 Chemaxon Polarizability 27.83 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a59-9180000000-e66e618d1a7c23d22509 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-691f6c001e1d0af23f1d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-22787b924059a2b8bbe3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-005c-1090000000-32c0438ed16917658fff Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-f075433b48be626a7d44 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000m-1790000000-056c0609f46a030f0539 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-1590000000-357ee704eafc76fb125c 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]- 172.2542446 predictedDarkChem Lite v0.1.0 [M-H]- 161.93034 predictedDeepCCS 1.0 (2019) [M+H]+ 172.1951446 predictedDarkChem Lite v0.1.0 [M+H]+ 164.28835 predictedDeepCCS 1.0 (2019) [M+Na]+ 172.1029446 predictedDarkChem Lite v0.1.0 [M+Na]+ 170.38148 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:22 / Updated at June 12, 2020 16:53