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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27N7O3S2.2CH4O3S
Molecular Weight 705.847
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PICTILISIB BISMESYLATE

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CS(=O)(=O)N1CCN(CC2=CC3=C(S2)C(=NC(=N3)C4=CC=CC5=C4C=NN5)N6CCOCC6)CC1

InChI

InChIKey=RFRIKACSFOTIMU-UHFFFAOYSA-N
InChI=1S/C23H27N7O3S2.2CH4O3S/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19;2*1-5(2,3)4/h2-4,13-14H,5-12,15H2,1H3,(H,24,27);2*1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H27N7O3S2
Molecular Weight 513.636
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Pictilisib is an oral potent inhibitor of class I PI3K with nanomolar activities against p110alpha, p110beta, p110delta, and p110gamma. The drug was developed for the treatment of solid tumors and reached phase II in patients with breast cancer and lung carcinoma, however its development was terminated.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
1.52 μM
330 mg single, oral
PICTILISIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
19.4 μM × h
330 mg single, oral
PICTILISIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
15.7 h
330 mg single, oral
PICTILISIB plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
Patients with breast cancer receive paclitaxel (90 mg/m2 weekly for 3 weeks in every 28-day cycle) with 260 mg pictilisib (daily on days 1-5 every week).
Route of Administration: Oral
In Vitro Use Guide
Human breast tumor cell lines were treated with GDC-0941 (dose range 0.083–5 mM) to test cell viability in vitro.
Substance Class Chemical
Record UNII
G3D7HF2GS9
Record Status Validated (UNII)
Record Version