U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25ClFN5O3
Molecular Weight 473.928
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAPITINIB

SMILES

CNC(=O)CN1CCC(CC1)OC2=CC3=C(NC4=CC=CC(Cl)=C4F)N=CN=C3C=C2OC

InChI

InChIKey=DFJSJLGUIXFDJP-UHFFFAOYSA-N
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)

HIDE SMILES / InChI
Molecular Formula C23H25ClFN5O3
Molecular Weight 473.928
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:39:30 UTC 2023
Edited
by admin
on Sat Dec 16 01:39:30 UTC 2023
Record UNII
3499328002
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAPITINIB
INN   WHO-DD  
INN  
Official Name English
2-(4-((4-((3-CHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)OXY)PIPERIDIN-1-YL)-N-METHYLACETAMIDE
Systematic Name English
Sapitinib [WHO-DD]
Common Name English
AZD-8931
Code English
AZD8931
Code English
sapitinib [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
NCI_THESAURUS C2167
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
Code System Code Type Description
EVMPD
SUB128141
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
FDA UNII
3499328002
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
INN
9528
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
CHEBI
132986
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
DRUG BANK
DB12183
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
PUBCHEM
11488320
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
SMS_ID
100000153842
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
ChEMBL
CHEMBL2408045
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID50233942
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
CAS
848942-61-0
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
NCI_THESAURUS
C77887
Created by admin on Sat Dec 16 01:39:30 UTC 2023 , Edited by admin on Sat Dec 16 01:39:30 UTC 2023
PRIMARY
Related Record Type Details
EPIDERMAL GROWTH FACTOR RECEPTOR
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
IC50
Structure of SAPITINIB DIFUMURATE
SALT/SOLVATE -> PARENT
RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
IC50
RECEPTOR TYROSINE-PROTEIN KINASE ERBB-3
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
IC50
Related Record Type Details
Structure of SAPITINIB
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966