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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H21F3N6O2
Molecular Weight 410.3935
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUPARLISIB

SMILES

NC1=NC=C(C2=CC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(=C1)C(F)(F)F

InChI

InChIKey=CWHUFRVAEUJCEF-UHFFFAOYSA-N
InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)

HIDE SMILES / InChI
Molecular Formula C18H21F3N6O2
Molecular Weight 410.3935
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 Fri Dec 15 19:37:52 UTC 2023
Edited
by admin
on Fri Dec 15 19:37:52 UTC 2023
Record UNII
0ZM2Z182GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUPARLISIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
BKM120-AAA
Code English
Buparlisib [WHO-DD]
Common Name English
NVP-BKM-120
Code English
BKM-120NX
Code English
BKM120-NX
Code English
BUPARLISIB [USAN]
Common Name English
buparlisib [INN]
Common Name English
BKM-120
Code English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
NCI_THESAURUS C2152
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
Code System Code Type Description
FDA UNII
0ZM2Z182GD
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID50241486
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
CAS
944396-07-0
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
DRUG BANK
DB11666
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
PUBCHEM
16654980
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
SMS_ID
100000154031
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
CAS
1202777-78-3
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
SUPERSEDED
WIKIPEDIA
Buparlisib
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
EVMPD
SUB128477
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL2017974
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
USAN
AB-29
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
NCI_THESAURUS
C90565
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
INN
9546
Created by admin on Fri Dec 15 19:37:52 UTC 2023 , Edited by admin on Fri Dec 15 19:37:52 UTC 2023
PRIMARY
Related Record Type Details
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
TARGET -> INHIBITOR
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
TARGET -> INHIBITOR
Structure of BUPARLISIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of BUPARLISIB
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