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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30N8O3S
Molecular Weight 498.601
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APITOLISIB

SMILES

C[C@H](O)C(=O)N1CCN(CC2=C(C)C3=NC(=NC(N4CCOCC4)=C3S2)C5=CN=C(N)N=C5)CC1

InChI

InChIKey=YOVVNQKCSKSHKT-HNNXBMFYSA-N
InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1

HIDE SMILES / InChI
Molecular Formula C23H30N8O3S
Molecular Weight 498.601
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:58 UTC 2023
Edited
by admin
on Sat Dec 16 01:53:58 UTC 2023
Record UNII
1C854K1MIJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APITOLISIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
GNE-390
Common Name English
apitolisib [INN]
Common Name English
Apitolisib [WHO-DD]
Common Name English
APITOLISIB [USAN]
Common Name English
(S)-1-(4-((2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE
Systematic Name English
RG-7422
Code English
(2S)-1-(4-((2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL(PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE
Common Name English
RG7422
Code English
1-PROPANONE, 1-(4-((2-(2-AMINO-5-PYRIMIDINYL)-7-METHYL-4-(4-MORPHOLINYL)THIENO(3,2-D)PYRIMIDIN-6-YL)METHYL)-1-PIPERAZINYL)-2-HYDROXY-, (2S)-
Systematic Name English
GDC-0980.1
Code English
G-038390
Code English
GDC-0980
Code English
G-038390.1
Code English
Classification Tree Code System Code
NCI_THESAURUS C1404
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
Code System Code Type Description
INN
9644
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
USAN
AB-129
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
CAS
1032754-93-0
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
DRUG BANK
DB12180
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
NCI_THESAURUS
C91731
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
SMS_ID
100000151760
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
CAS
1309384-87-9
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
SUPERSEDED
PUBCHEM
25254071
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
EVMPD
SUB126157
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID50145738
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL1922094
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
FDA UNII
1C854K1MIJ
Created by admin on Sat Dec 16 01:53:59 UTC 2023 , Edited by admin on Sat Dec 16 01:53:59 UTC 2023
PRIMARY
Related Record Type Details
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM
TARGET -> INHIBITOR
MAMMALIAN TARGET OF RAPAMYCIN COMPLEX 2
TARGET -> INHIBITOR
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
INNOVATOR->PARENT
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
TARGET -> INHIBITOR
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
INNOVATOR->PARENT
MAMMALIAN TARGET OF RAPAMYCIN COMPLEX 1
TARGET -> INHIBITOR
Related Record Type Details
Structure of APITOLISIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

DOSE

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