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Details

Stereochemistry ACHIRAL
Molecular Formula C28H25F3N6O2.C4H4O4
Molecular Weight 650.6045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BGT-226 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.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=YUXMAKUNSXIEKN-BTJKTKAUSA-N
InChI=1S/C28H25F3N6O2.C4H4O4/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;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C28H25F3N6O2
Molecular Weight 534.5323
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/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

Curator's Comment: # Novartis

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
2.45 ng/mL
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
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
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

AUC

ValueDoseCo-administeredAnalytePopulation
26.97 ng × h/mL
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
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
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

T1/2

ValueDoseCo-administeredAnalytePopulation
8.61 h
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
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
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
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Patents

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
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:32 UTC 2023
Edited
by admin
on Sat Dec 16 05:14:32 UTC 2023
Record UNII
4YG62LG876
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BGT-226 MALEATE
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)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
BGT226
Code English
BGT-226
Common Name English
NVP-BGT-226
Code English
NVP-BGT226
Code English
Code System Code Type Description
FDA UNII
4YG62LG876
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
NCI_THESAURUS
C185346
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL3218578
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
PUBCHEM
57336745
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
CAS
1245537-68-1
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
SMS_ID
100000175781
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
CHEBI
71953
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
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