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Details

Stereochemistry ACHIRAL
Molecular Formula C28H25F3N6O2
Molecular Weight 534.5323
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BGT-226 FREE BASE

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

HIDE SMILES / InChI

Molecular Formula C28H25F3N6O2
Molecular Weight 534.5323
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions
PubMed

PubMed

TitleDatePubMed
Preclinical modeling of combined phosphatidylinositol-3-kinase inhibition with endocrine therapy for estrogen receptor-positive breast cancer.
2011 Mar 1
Patents

Sample Use Guides

In Vivo Use Guide
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
In Vitro Use Guide
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
Substance Class Chemical
Created
by admin
on Tue Oct 22 08:43:21 UTC 2019
Edited
by admin
on Tue Oct 22 08:43:21 UTC 2019
Record UNII
ZXE7F2GMJJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BGT-226 FREE BASE
Common Name English
2H-IMIDAZO(4,5-C)QUINOLIN-2-ONE, 1,3-DIHYDRO-8-(6-METHOXY-3-PYRIDINYL)-3-METHYL-1-(4-(1-PIPERAZINYL)-3-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
8-(6-METHOXYPYRIDIN-3-YL)-3-METHYL-1-(4-(PIPERAZIN-1-YL)-3-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZO(4,5-C)QUINOLIN-2(3H)-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
915020-55-2
Created by admin on Tue Oct 22 08:43:21 UTC 2019 , Edited by admin on Tue Oct 22 08:43:21 UTC 2019
PRIMARY
PUBCHEM
11978790
Created by admin on Tue Oct 22 08:43:21 UTC 2019 , Edited by admin on Tue Oct 22 08:43:21 UTC 2019
PRIMARY
CAS
915020-55-2
Created by admin on Tue Oct 22 08:43:21 UTC 2019 , Edited by admin on Tue Oct 22 08:43:21 UTC 2019
PRIMARY
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