Gsk-2256098

HCID 46214930CAS 1224887-10-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
InChIKey: BVAHPPKGOOJSPU-UHFFFAOYSA-N
Summenformel: C20H23ClN6O2
Durchschnittliche Molmasse: 414,9 g/mol

Überblick

GSK2256098 is under investigation in clinical trial NCT02523014 (Vismodegib and FAK Inhibitor GSK2256098 in Treating Patients With Progressive Meningiomas).

Namen und Bezeichner

Bevorzugter Name: Gsk-2256098
IUPAC: 2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
Englischer Name: GSK-2256098
Summenformel: C20H23ClN6O2
Molmasse: 414.89

Namen und Synonyme

1224887-10-8GSK2256098GSK-2256098R7O0O4110G2-[(5-chloro-2-{[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]amino}pyridin-4-yl)amino]-N-methoxybenzamide2-((5-chloro-2-((3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl)amino)pyridin-4-yl)amino)-N-methoxybenzamideRefChem:144510FAK Inhibitor GSK2256098Focal Adhesion Kinase Inhibitor GSK22560982-((5-Chloro-2-((1-isopropyl-3-methyl-1H-pyrazol-5-yl)amino)pyridin-4-yl)amino)-N-methoxybenzamideMFCD30502650GTPL7939

Weitere Namen anzeigen

CS-2424GSK-2256099GSK-2256098, GTPL7939GSK 2256098FAK inhibitor GS2256098GSK2256098, 10 mM in DMSO2-(5-chloro-2-(1-isopropyl-3-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-N-methoxybenzamide2-[(5-chloro-2-{[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino}-4-pyridinyl)amino]-N(methyloxy)benzamide

2-[[5-chloro-2-[[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamideBenzamide, 2-[[5-chloro-2-[[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxy-SCHEMBL691518UNII-R7O0O4110GCHEMBL4742157EX-A671HY-100498Q27077884

Datenbank-Bezeichner

CAS: 1224887-10-8
PubChem CID: 46214930
ChEMBL: CHEMBL4742157
UNII: R7O0O4110G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 93,1 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 7
Schwere Atome: 29
Formalladung: 0
Komplexität: 539

Physikochemische Eigenschaften

Dichte: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: 47.33 · DMSO:47.33(Max Conc. mg/mL);114.08(Max Conc. mM)DMF:30.0(Max Conc. mg/mL);72.31(Max Conc. mM)Ethanol:56.0(Max Conc. mg/mL);134.98(Max Conc. mM)Ethanol:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.48(Max Conc. mM)
Aggregatzustand: A crystalline solid
pka: 5.24 · 5.24±0.10(Predicted)
Farbe: White to khaki
InChI: InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)
InChIKey: BVAHPPKGOOJSPU-UHFFFAOYSA-N
SMILES: C(NOC)(=O)C1=CC=CC=C1NC1C(Cl)=CN=C(NC2N(C(C)C)N=C(C)C=2)C=1

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungGSK2256098 is an inhibitor of focal adhesion kinase (FAK). It is selective for FAK, inhibiting only FAK greater than 50% in a panel of 261 kinases. GSK2256098 inhibits FAK autophosphorylation at tyrosine 397 (Y397) in OVCAR8 ovarian, U87MG glioblastoma, and A549 lung cancer cell lines (IC50s = 15, 8.5, and 12 nM, respectively). It induces apoptosis and increases PARP levels, decreases viability (IC50 = 25 μM), and inhibits colony formation in L3.6P1 cells. GSK2256098 (75 mg/kg per day) also leads to lower tumor weight and fewer metastases in the Ishikawa orthotopic mouse model of uterine cancer.

VerwendenGSK 2256098 is FAK inhibitor. It can be used in biological study of molecular pathways: endothelial cell FAK-A target for cancer treatment.