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Details

Stereochemistry ACHIRAL
Molecular Formula C24H28N8O2
Molecular Weight 460.5315
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TASELISIB

SMILES

CC(C)N1N=C(C)N=C1C2=CN3CCOC4=CC(=CC=C4C3=N2)C5=CN(N=C5)C(C)(C)C(N)=O

InChI

InChIKey=BEUQXVWXFDOSAQ-UHFFFAOYSA-N
InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)

HIDE SMILES / InChI
Molecular Formula C24H28N8O2
Molecular Weight 460.5315
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/23662903 | https://www.ncbi.nlm.nih.gov/pubmed/25172762 | https://www.biooncology.com/pipeline-molecules/taselisib.html

Taselisib (GDC-0032) is an highly selective small-molecule inhibitor of phosphatidylinositol 3-kinase (PI3K) p110-α isoform (PIK3CA). Taselisib is designed to bind to the ATP-binding pocket of PIK3CA to potentially prevent subsequent downstream signaling. Taselisib caused a strong differential growth inhibition in carcinoma cells harbored oncogenic PIK3CA mutations. In preclinical studies, taselisib induced growth inhibition in PIK3CA-mutant xenograft mouse models. Genentech (a Roche subsidiary) is developing taselib primarily for the treatment of solid tumours.

Originator

Genentech
9
Curator's Comment: # Genentech (a Roche subsidiary)

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 0.29 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase III
656
Unknown

Approved Use

Unknown
Primary
Phase III
656
Unknown

Approved Use

Unknown
Primary
Phase II
1132
Unknown

Approved Use

Unknown
Primary
Phase II
1132
Unknown

Approved Use

Unknown
Primary
Phase II
1132
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
0.091 μM
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
5 mg 1 times / day steady-state, oral
dose: 5 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
0.111 μM
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
3 mg 1 times / day steady-state, oral
dose: 3 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
0.188 μM
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
8 mg 1 times / day steady-state, oral
dose: 8 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
0.302 μM
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
12 mg 1 times / day steady-state, oral
dose: 12 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
0.441 μM
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
16 mg 1 times / day steady-state, oral
dose: 16 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1.49 μM × h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
5 mg 1 times / day steady-state, oral
dose: 5 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
1.79 μM × h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
3 mg 1 times / day steady-state, oral
dose: 3 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
3.21 μM × h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
8 mg 1 times / day steady-state, oral
dose: 8 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
5.1 μM × h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
12 mg 1 times / day steady-state, oral
dose: 12 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
8.1 μM × h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/28331003/
16 mg 1 times / day steady-state, oral
dose: 16 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
TASELISIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Sourcing

Sourcing

Vendor/AggregatorIDURL
001 Chemical
DY111482
https://www.001chemical.com/chem/search?q=DY111482
1PlusChem LLC
1P000YD6
https://www.1pchem.com/search?query=1P000YD6
A2B Chem
AA43738
http://a2bchem.com/prod/AA43738
AChemBlock
P50900
http://www.achemblock.com/catalogsearch/result/?q=P50900
AK Scientific
9344AF
https://aksci.com/item_detail.php?cat=9344AF
Angene
AGN-PC-0WH9JQ
http://www.angenechemical.com/productshow/AGN-PC-0WH9JQ.html
ApexBio Technology
B1047
https://www.apexbt.com/catalogsearch/result/?q=B1047
AstaTech
42575
http://astatechinc.com/CPSResult.php?CRNO=42575
Axon MedChem
2927
https://www.axonmedchem.com/product/2927
BLD Pharm
BD450324
http://www.bldpharm.com/search/Search.html?keyword=BD450324
BOC Sciences
1282512-48-4
http://www.bocsci.com/description.asp?cas=1282512-48-4
Cayman Chemical
17387
http://www.caymanchem.com/app/template/Product.vm/catalog/17387
Chem Scene
CS-1817
http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1817
ChemShuttle
105144
https://www.chemshuttle.com/catalogsearch/result/?q=105144
Excenen
EX-A1581
http://www.excenen.com/searchresultlist.php?id=EX-A1581
Hairui
TAJB019
http://www.hairuichem.com/en/product/search.do?q=TAJB019
KeyOrganics
AS-10662
http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-10662
Matrix Scientific
145388
http://www.matrixscientific.com/145388.html
MedChem Express
HY-13898
https://www.medchemexpress.com/search.html?q=HY-13898&ft=&fa=&fp=
MolPort
MolPort-039-062-173
https://www.molport.com/shop/molecule-link/MolPort-039-062-173
Molcore
MC111482
http://www.molcore.com/CatMC111482.html
Molnova
M11159
https://www.molnova.com/en/serch-list.html?keywords=M11159
MuseChem
I001112
https://www.musechem.com/product/I001112.html
Selleck Chemicals
S7103
http://www.selleckchem.com/search.html?searchDTO.searchParam=S7103
ShangHai Biochempartner
BCP001087
http://www.biochempartner.com/search_BCP001087
ShangHai Biochempartner
BCP09253
http://www.biochempartner.com/search_BCP09253
TargetMol
T1999
https://www.targetmol.com/search?keyword=T1999
Toronto Research Chemicals
D439130
https://www.trc-canada.com/product-detail/?CatNum=D439130
Toronto Research Chemicals
D446475
https://www.trc-canada.com/product-detail/?CatNum=D446475
eMolecules
48670995
https://orderbb.emolecules.com/search/#?query=48670995
mcule
MCULE-9997946172
https://mcule.com/MCULE-9997946172/
PubMed

PubMed

TitleDatePubMed
Taselisib, a selective inhibitor of PIK3CA, is highly effective on PIK3CA-mutated and HER2/neu amplified uterine serous carcinoma in vitro and in vivo.
2014 Nov
Patents

Patents

08242104
2
08343955
6
08586574
10
08785626
4
20110076292
1
20120244149
1
20130079331
1
20140044706
1
20140058098
1

Sample Use Guides

In Vivo Use Guide
A Phase Ib dose escalation study evaluating taselisib doses ranging from 6-9 mg QD capsules
Route of Administration: Oral
In Vitro Use Guide
treatment with 50 nM, 100 nM and 500 nM of taselisib for 24 hrs was able to significantly increase the fraction of cells in the G0/G1 cell cycle phase in the uterine serous carcinoma cell lines when compared with the untreated controls
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:16:31 GMT 2023
Edited
by admin
on Sat Dec 16 17:16:31 GMT 2023
Record UNII
L08J2O299M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TASELISIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
TASELISIB [USAN]
Common Name English
taselisib [INN]
Common Name English
2-(4-(2-(1-ISOPROPYL-3-METHYL-1H-1,2,4-TRIAZOL-5-YL)-5,6-DIHYDROBENZO(F)IMIDAZO(1,2-D)(1,4)OXAZEPIN-9-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDE
Systematic Name English
Taselisib [WHO-DD]
Common Name English
GDC-0032
Code English
1H-PYRAZOLE-1-ACETAMIDE, 4-(5,6-DIHYDRO-2-(3-METHYL-1-(1-METHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)IMIDAZO(1,2-D)(1,4)BENZOXAZEPIN-9-YL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
RG-7604
Code English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
NCI_THESAURUS C2152
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
Code System Code Type Description
SMS_ID
100000163079
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
USAN
BC-99
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
EVMPD
SUB177205
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
NCI_THESAURUS
C116876
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID00155842
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
FDA UNII
L08J2O299M
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
PUBCHEM
51001932
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
CAS
1282512-48-4
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
ChEMBL
CHEMBL2387080
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
INN
9815
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
CAS
1395408-87-3
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
SUPERSEDED
WIKIPEDIA
Taselisib
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
DRUG BANK
DB12108
Created by admin on Sat Dec 16 17:16:32 GMT 2023 , Edited by admin on Sat Dec 16 17:16:32 GMT 2023
PRIMARY
Related Record Type Details
PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
TARGET -> INHIBITOR
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PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
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PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM
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PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
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Related Record Type Details
Structure of TASELISIB
ACTIVE MOIETY
NIH
NCATS
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DISCLAIMER
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