| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H17N5O3 |
| Molecular Weight | 363.37 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC2=CC(=CC=C2O1)C3=CN4C(=CN=C4C=C3)C(=O)N5CCOCC5
InChI
InChIKey=BLGWHBSBBJNKJO-UHFFFAOYSA-N
InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
| Molecular Formula | C19H17N5O3 |
| Molecular Weight | 363.37 |
| 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 |
Serabelisib (INK1117 and TAK-117) is an orally bioavailable, PI3K p110α- isoform-specific inhibitor with an in vitro IC50 of 15 nM, highly selective against other isoforms (p110β, p110γ, and p110δ) and mTOR (no significant inhibitions at 1 μM concentration). It displayed significant efficacy in several PI3Kα mutant-specific preclinical mouse xenograft tumor models, and blocked signaling to Akt and inhibited the growth of cancer cells harboring wild-type or mutated p110α. Preclinical studies showed TAK-117 to have the low potential for disrupting glucose metabolism or for causing cardiac adverse events; in rats and monkeys, doses up to 50 mg/kg/day were well tolerated. Serabelisib is currently under clinical evaluation.
Originator
Approval Year
Sourcing
PubMed
Patents
Sample Use Guides
In total, 24 patients were assigned to once-daily (6 at 100 mg, 6 at 150 mg, 8 at 200 mg, and 4 at 300 mg), 27 to Monday–Wednesday–Friday (MWF) (3 patients each at 200, 300, 400, and 600 mg, 12 at 900 mg, and 3 at 1,200 mg), and 20 to MTuW (3 patients each at 200, 400, and 600 mg, and 11 patients at 900 mg) dosing.
Route of Administration:
Oral
SK-OV-3 and U87MG cell lines were obtained from ATCC. A total of 5000 cells/well in low serum media (0.2% FBS) were seeded in triplicate wells of a 96-well flat bottom culture plate for 18 h to adhere. Media was aspirated and inhibitors in 0.2% FBS media were added to each well at the indicated concentrations. After 48 h, cell viability was determined using the MTS assay (Cell Titer 96 Aqueous One solution cell proliferation assay kit; Promega) with absorbance (490 nm) measured in a microplate spectrophotometer.
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