Sapitinib

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
Sapitinib
Accession Number
DB12183
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
  • sapitinib
External IDs
AZD-8931 / AZD8931
Categories
Not Available
UNII
3499328002
CAS number
848942-61-0
Weight
Average: 473.93
Monoisotopic: 473.1629955
Chemical Formula
C23H25ClFN5O3
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

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
11488320
PubChem Substance
347828469
ChemSpider
9663133
BindingDB
50437353
ChEBI
132986
ChEMBL
CHEMBL2408045

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers2
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentAdvanced Solid Malignancies1
1CompletedTreatmentCancer, Breast / Metastatic Cancers / Neoplasms1
1TerminatedBasic ScienceNeoplasms, Breast1
1, 2CompletedTreatmentCancer, Breast / Neoplasms / Neoplasms, Breast1
2Active Not RecruitingTreatmentMetastatic Colorectal Cancers / Recurrent Colorectal Cancer1
2Active Not RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
2RecruitingTreatmentMetastatic Breast Cancer (MBC)1
2TerminatedTreatmentCancer, Breast / Neoplasms / Neoplasms, Breast1
2TerminatedTreatmentMetastatic, Gastric or Gastro-oesophageal Junction, Cancer1

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

Taxonomy

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
Alpha-amino acid amide / Quinazolinamine / Diazanaphthalene / Quinazoline / Anisole / Aniline or substituted anilines / Alkyl aryl ether / Aminopyrimidine / Fluorobenzene / Halobenzene
show 31 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:33 / Updated on June 04, 2019 07:33