Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
3499328002
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25ClFN5O3
Molecular Weight 473.928
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Thu Mar 26 03:11:19 EDT 2020
Edited by admin on Thu Mar 26 03:11:19 EDT 2020
Structure of SAPITINIB

Systematic Names:

  • None recorded
  • {{name}}

SMILES

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

InChI

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)
Name Type Language Details References
SAPITINIB
Domain Jurisdiction Naming Organization
drug  
INN  
INN   WHO-DD  
Official Name
English  
2-(4-((4-((3-CHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)OXY)PIPERIDIN-1-YL)-N-METHYLACETAMIDE
Systematic Name
English  
AZD-8931
Code
English  
AZD8931
Code
English  
SAPITINIB [INN]
Common Name
English  
SAPITINIB [WHO-DD]
Common Name
English  
Classification Tree Code System Code References
NCI_THESAURUS C129825
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
NCI_THESAURUS C2167
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
Code System Code Type Description References
EVMPD
SUB128141
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
INN
9528
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
PUBCHEM
11488320
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
ChEMBL
CHEMBL2408045
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
EPA CompTox
848942-61-0
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
CAS
848942-61-0
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
NCI_THESAURUS
C77887
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
PRIMARY
Related Record Type Details References
TARGET -> INHIBITOR
Mediator Substance Details
none
COMPETITIVE INHIBITOR
IC50
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:11:20 EDT 2020 , Edited by admin on Thu Mar 26 03:11:20 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
COMPETITIVE INHIBITOR
IC50
Created by admin on Thu Mar 26 03:11:19 EDT 2020 , Edited by admin on Thu Mar 26 03:11:19 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
COMPETITIVE INHIBITOR
IC50
Created by admin on Thu Mar 26 03:11:20 EDT 2020 , Edited by admin on Thu Mar 26 03:11:20 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:11:20 EDT 2020 , Edited by admin on Thu Mar 26 03:11:20 EDT 2020
Created Thu Mar 26 03:11:19 EDT 2020
Created By admin
Last Edited Thu Mar 26 03:11:19 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 SAPITINIB [WHO-DD] SRS_LOCATOR
2 pINN 106 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
3 WHO-DD SRS NOMEN
4 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:58:56 EDT 2017
5 SYSTEM
6 Clin Cancer Res. 2010 Feb 15;16(4):1159-69. doi: 10.1158/1078-0432.CCR-09-2353. Epub 2010 Feb 9. JA
7 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE
8 SRS import [3499328002] SRS NOMEN Fri Apr 28 14:58:56 EDT 2017
9 http://www.apischemical.com/APIsproducts1/848942-61-0,AZD8931.htm SRS NOMEN
10 WEB PAGE WEB PAGE NOMEN
11 SAPITINIB [INN] SRS_LOCATOR
12 dump-public-2020-03-25.gsrs BATCH_IMPORT Thu Mar 26 03:11:19 EDT 2020
13 STN STN (SCIFINDER)

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