SCH-900271

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

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
PubChem Compound
56950369
PubChem Substance
347828675
ChemSpider
28518389
BindingDB
50384612
ChEMBL
CHEMBL2036958
ZINC
ZINC000096902468

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMixed Hyperlipidemia / Primary Hypercholesterolemia1

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 Solubility0.218 mg/mLALOGPS
logP1.88ALOGPS
logP1.52Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)7.51Chemaxon
pKa (Strongest Basic)-5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area84.5 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity79.98 m3·mol-1Chemaxon
Polarizability27.83 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a59-9180000000-e66e618d1a7c23d22509
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-691f6c001e1d0af23f1d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-22787b924059a2b8bbe3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-005c-1090000000-32c0438ed16917658fff
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-f075433b48be626a7d44
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000m-1790000000-056c0609f46a030f0539
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-1590000000-357ee704eafc76fb125c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-172.2542446
predicted
DarkChem Lite v0.1.0
[M-H]-161.93034
predicted
DeepCCS 1.0 (2019)
[M+H]+172.1951446
predicted
DarkChem Lite v0.1.0
[M+H]+164.28835
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.1029446
predicted
DarkChem Lite v0.1.0
[M+Na]+170.38148
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:22 / Updated at June 12, 2020 16:53