Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H25F3N6O2 |
| Molecular Weight | 534.5323 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C=N1)C2=CC=C3N=CC4=C(N(C(=O)N4C)C5=CC=C(N6CCNCC6)C(=C5)C(F)(F)F)C3=C2
InChI
InChIKey=BMMXYEBLEBULND-UHFFFAOYSA-N
InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
DescriptionCurator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22357447 | https://www.ncbi.nlm.nih.gov/pubmed/21959532
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/22357447 | https://www.ncbi.nlm.nih.gov/pubmed/21959532
BGT 226 is an orally available, small molecule, the dual inhibitor of mammalian target of rapamycin (mTOR) and phosphatidylinositol 3'kinase (PI3K), developed by Novartis for the treatment of solid tumors, including advanced breast cancer. A phase I/II trial was completed in the US, Canada, and Spain, and a phase I trial was completed in Japan. However, development appears to have been discontinued.
Originator
Approval Year
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
2.45 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
5.21 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
125 mg single, oral dose: 125 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
2.5 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
26.97 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
78.75 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
125 mg single, oral dose: 125 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
32.86 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
8.61 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
8.62 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
125 mg single, oral dose: 125 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
7.61 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22357447 |
80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered: |
BGT-226 MALEATE plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
Sample Use Guides
Patients were received BGT226 (2.5, 5, 10, 20, 40, 80, and 125 mg) as a single oral daily dose, three times weekly (TIW) (every other day), 2 h after a light breakfast, and to continue fasting for two more hours. Treatment was continued on 28-day treatment cycles until unacceptable toxicity, disease progression, or consent withdrawal.
Route of Administration:
Oral
HCC, Mahlavu, SNU475, SNU449, HepG2 and Hep3B cells were incubated in the presence of increasing concentrations of the BGT 226 for either 24 or 48 h. Cell viability rates were then analyzed by MTT assays. After 48 h of treatment cell viability impairment was evident, with an IC50 value ranging from 0.55 mkM for Mahlavu to 1.35 mkM for HepG2 cells
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DTXSID60238600
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11978790
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915020-55-2
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ZXE7F2GMJJ
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)
