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Selective PI3Kδ Inhibitor 1

CAT: 0013-GTR19169475-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169475-01Size:1 mg
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Description
Selective PI3Kδ Inhibitor 1 is a potent and specific inhibitor of the delta isoform of phosphoinositide 3-kinase, exhibiting an IC50 of 0.9 nM. It is a valuable research tool for studying PI3Kδ signaling in immunological and oncological contexts, applicable in both in vitro and in vivo experimental models.
CAS Number
2088525-31-7
Product Name Alternative
Inhibitor, inhibit, Selective PI3Kδ Inhibitor 1, Selective PI-3Kδ Inhibitor 1, Selective PI3Kdelta Inhibitor 1, PI3K, PI3Kδ, Phosphoinositide 3-kinase
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
97.96% (May vary between batches)
Solubility
DMSO:43 mg/mL (100.13 mM)
Smiles
CN1C (C2 (CC2) C3=CC=CC=C3) =NC (=N1) C4=NC (=C (N) N=C4) C5=CC (F) =C (C (N) =O) C=C5
Molecular Formula
C23H20FN7O
Molecular Weight
429.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Selective PI3Kdelta Inhibitor 1
CAS Number2088525-31-7
PubChem CID137661516
IUPAC Name4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-2-fluorobenzamide
Molecular FormulaC23H20FN7O
Molecular Weight429.4
XLogP2.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity685
SMILES
CN1C(=NC(=N1)C2=CN=C(C(=N2)C3=CC(=C(C=C3)C(=O)N)F)N)C4(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
InChIKey
YPTMZNNBDPEMOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selective PI3Kdelta Inhibitor 1
CAS: 2088525-31-7
CID: 137661516
Formula: C23H20FN7O
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass429.17133645
Monoisotopic Mass429.17133645
Topological Polar Surface Area126 Ų
Heavy Atom Count32
Formal Charge0
Complexity685
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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