BGT-226 free base

Base Information

Chemical Name:BGT-226 free base
CAS No.:915020-55-2
Molecular Formula:C₂₈H₂₅F₃N₆O₂
Molecular Weight:534.541
Hs Code.:
UNII:ZXE7F2GMJJ
DSSTox Substance ID:DTXSID60238600
Wikidata:Q27075202
Pharos Ligand ID:A5Q78DC2J5Z6
Metabolomics Workbench ID:65888
ChEMBL ID:CHEMBL3218578
Mol file:915020-55-2.mol

Synonyms:8-(6-methoxypyridin-3-yl)-3-methyl-1-(4-piperazin-1-yl-3-trifluoromethylphenyl)-1,3-dihydroimidazo(4,5-c)quinolin-2-one;BGT 226;BGT226;NVP-BGT226

Suppliers and Price of BGT-226 free base

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
8-(6-Methoxypyridin-3-yl)-3-methyl-1-(4-piperazin-1-yl)-3-(trifluoromethyl)phenyl-1H-imidazol[4,5-c]quinolin-2(3H)-one
2.5mg
$ 260.00

AK Scientific
BGT-226freebase
100mg
$ 1615.00

Total 7 raw suppliers

Chemical Property of BGT-226 free base

Chemical Property:

PSA：77.21000
LogP:4.77020
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:534.19910855
Heavy Atom Count:39
Complexity:873

Purity/Quality:

99%, ^*data from raw suppliers

8-(6-Methoxypyridin-3-yl)-3-methyl-1-(4-piperazin-1-yl)-3-(trifluoromethyl)phenyl-1H-imidazol[4,5-c]quinolin-2(3H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC
Recent ClinicalTrials:A Phase I/II Study of BGT226 in Adult Patients With Advanced Solid Malignancies Including Patients With Advanced Breast Cancer
Recent EU Clinical Trials:Estudio de fase I/II, multicéntrico, abierto de BGT226, administrado por vía oral a pacientes adultos con tumores sólidos avanzados, incluyendo pacientes con cáncer de mama avanzado
Uses 8-(6-Methoxypyridin-3-yl)-3-methyl-1-(4-piperazin-1-yl)-3-(trifluoromethyl)phenyl-1H-imidazol[4,5-c]quinolin-2(3H)-one is an intermediate used in the screening of anti-prostate cancer drug targeting PI3K-AKT-mTOR pathway.

Technology Process of BGT-226 free base

There total 6 articles about BGT-226 free base which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

: C₂₂H₁₉BrF₃N₅O

: 163105-89-3,600726-67-8
2-methoxy-pyridine-5-boronic acid

: 915020-55-2
8-(6-methoxypyridin-3-yl)-3-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one

Guidance literature:: With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; N,N-dimethyl-formamide; at 100 ℃; for 1h; Temperature;

Reference yield: 77.0%

: 193902-87-3
tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate

: C₁₂H₂₀BNO₄

: isopropyl (6-bromo-4-chloroquinolin-3-yl)(methyl)carbamate

: 915020-55-2
8-(6-methoxypyridin-3-yl)-3-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one

Guidance literature:: tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate; isopropyl (6-bromo-4-chloroquinolin-3-yl)(methyl)carbamate; With hydrogenchloride; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; at 230 ℃; for 1h;

C₁₂H₂₀BNO₄; With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; water; for 1h; Inert atmosphere; Reflux;
DOI:10.1002/ejoc.201701772

Reference yield:

: 723281-72-9
6-bromo-4-chloro-3-nitroquinoline

: 915020-55-2
8-(6-methoxypyridin-3-yl)-3-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1.1: acetic acid; tin(II) chloride dihdyrate / ethanol / 3 h / Reflux

2.1: pyridine / dichloromethane; toluene / 4.25 h / 0 - 20 °C / Inert atmosphere

3.1: sodium hydride / tetrahydrofuran; mineral oil / 0.25 h / 0 °C / Inert atmosphere

3.2: 19 h / 0 - 20 °C

4.1: hydrogenchloride / 1-methyl-pyrrolidin-2-one / 1 h / Reflux

5.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium phosphate / N,N-dimethyl-formamide; water / 1 h / 100 °C

With pyridine; hydrogenchloride; potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tin(II) chloride dihdyrate; sodium hydride; acetic acid; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene; mineral oil; 5.1: |Suzuki Coupling;