NAV

Sapitinib

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

Identification

Generic Name
Sapitinib
DrugBank Accession Number
DB12183
Background

Sapitinib has been used in trials studying the treatment and basic science of Neoplasms, Breast Cancer, Breast Neoplasms, Metastatic Cancer, and Metastatic Breast Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 473.93
Monoisotopic: 473.1629955
Chemical Formula
C23H25ClFN5O3
Synonyms
  • Sapitinib
External IDs
  • AZD-8931
  • AZD8931

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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 alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Quinazolinamines / Aniline and substituted anilines / Anisoles / Alkyl aryl ethers / Aminopyrimidines and derivatives / Fluorobenzenes / Chlorobenzenes / Piperidines / Imidolactams / Aryl chlorides
show 12 more
Substituents
Alkyl aryl ether / Alpha-amino acid amide / Amine / Aminopyrimidine / Aniline or substituted anilines / Anisole / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide
show 31 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3499328002
CAS number
848942-61-0
InChI Key
DFJSJLGUIXFDJP-UHFFFAOYSA-N
InChI
InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)
IUPAC Name
2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide
SMILES
CNC(=O)CN1CCC(CC1)OC1=C(OC)C=C2N=CN=C(NC3=CC=CC(Cl)=C3F)C2=C1

References

General References
Not Available
PubChem Compound
11488320
PubChem Substance
347828469
ChemSpider
9663133
BindingDB
50437353
ChEBI
132986
ChEMBL
CHEMBL2408045
ZINC
ZINC000034587071

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentMetastatic Breast Cancer1
2Active Not RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
2CompletedTreatmentMetastatic Colorectal Cancer (CRC) / Recurrent Colorectal Cancer1
2TerminatedTreatmentBreast Cancer / Breast Neoplasms / Neoplasm1
2TerminatedTreatmentMetastatic, Gastric or Gastro-oesophageal Junction, Cancer1
1CompletedNot AvailableHealthy Subjects (HS)2
1CompletedBasic ScienceHealthy Subjects (HS)1
1CompletedTreatmentAdvanced Malignant Solid Tumor1
1CompletedTreatmentBreast Cancer / Metastatic Cancer / Neoplasm1
1TerminatedBasic ScienceBreast Neoplasms1

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 Solubility0.0218 mg/mLALOGPS
logP3.67ALOGPS
logP2.81Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)14.05Chemaxon
pKa (Strongest Basic)6.98Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.61 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity123.8 m3·mol-1Chemaxon
Polarizability48.4 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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

Drug created at October 20, 2016 21:33 / Updated at February 21, 2021 18:53