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Nemiralisib (Standard)

CAT: 0804-HY-19535AR-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19535AR-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nemiralisib (Standard) is the analytical standard of Nemiralisib. This product is intended for research and analytical applications. Nemiralisib (GSK2269557 free base) is a potent and highly selective PI3Kδ inhibitor with a pKi of 9.9.
CAS Number
1254036-71-9
UNSPSC
12352100
Target
PI3K; Reference Standards
Related Pathways
Others; PI3K/Akt/mTOR
Field of Research
Cancer
Smiles
CC(N1CCN(CC2=CN=C(C3=CC(C4=CC=CC5=C4C=CN5)=CC6=C3C=NN6)O2)CC1)C
Molecular Formula
C26H28N6O
Molecular Weight
440.54
References & Citations
[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.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Nemiralisib

Nemiralisib is under investigation in clinical trial NCT03345407 (Dose Finding Study of Nemiralisib (GSK2269557) in Subjects With an Acute Moderate or Severe Exacerbation of Chronic Obstructive Pulmonary Disease (COPD)).

CAS Number1254036-71-9
PubChem CID49784002
IUPAC Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
Molecular FormulaC26H28N6O
Molecular Weight440.5
XLogP3.9
Topological Polar Surface Area77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity655
SMILES
CC(C)N1CCN(CC1)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=C6C=CNC6=CC=C5
InChI
InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)
InChIKey
MCIDWGZGWVSZMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nemiralisib
CAS: 1254036-71-9
CID: 49784002
Formula: C26H28N6O
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass440.23245954
Monoisotopic Mass440.23245954
Topological Polar Surface Area77 Ų
Heavy Atom Count33
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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