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1254036-71-9

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1254036-71-9 Structure

1254036-71-9 Structure
IdentificationBack Directory
[Name]

6-(1H-indol-4-yl)-4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazole
[CAS]

1254036-71-9
[Synonyms]

CS-2340
Nemiralisib
GSK2269557 (free base)
gsk2269557(Nemiralisib)
Nemiralisib(GSK2269557)
GSK 2269557;GSK-2269557
PI3Kδ inhibitor GS2269557
Nemiralisib (GSK2269557 free base)
6-(1H-indol-4-yl)-4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazole
1H-Indazole, 6-(1H-indol-4-yl)-4-[5-[[4-(1-methylethyl)-1-piperazinyl]methyl]-2-oxazolyl]-
[Molecular Formula]

C26H28N6O
[MDL Number]

MFCD28128611
[MOL File]

1254036-71-9.mol
[Molecular Weight]

440.54
Chemical PropertiesBack Directory
[Boiling point ]

706.2±70.0 °C(Predicted)
[density ]

1.281±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 33.33 mg/mL (75.66 mM)
[form ]

Solid
[pka]

12.90±0.40(Predicted)
[color ]

White to yellow
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Nemiralisib (GSK2269557 free base) is a potent and highly selective PI3Kδ inhibitor with a pKi of 9.9.
[Biological Activity]

Nemiralisib, also known as GSK-2269557, is a potent and selective PI3Kδ inhibitor (pKi=9.9).
[in vivo]

Nemiralisib has relatively low oral bioavailability (F=2%), in vivo clearance is 28 mL/min/kg, but high volume distribution, 6.3 L/kg. 0.3-1 μMGSK-2269557 induction concentration Dependent QT interval and Tpe prolongation, 1 μM GSK-2269557 resulted in prolongation of the ORS wave, during which no torsades de pointes arrhythmia was observed.
[target]

TargetValue
PI3Kδ
(Cell-free assay)		 9.9(pKi)
[IC 50]

PI3Kδ: 9.9 (pKi); PI3Kγ: 5.2 (pIC50); PI3Kα: 5.3 (pIC50); PI3Kβ: 5.8 (pIC50)
[References]

[1] Down K et al. Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase δ for the Treatment of Respiratory Disease. J Med Chem. 2015 Sep 24;58(18):7381-99. DOI:10.1021/acs.jmedchem.5b00767
Spectrum DetailBack Directory
[Spectrum Detail]

6-(1H-indol-4-yl)-4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazole(1254036-71-9)1HNMR
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