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Chemical structure of PI3Kα-IN-9

GC73313

PI3Kα-IN-9

Also known as 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzoxazol-2-amine

PI3Kα-IN-9 (compound 27) is a selective, long-acting and oral active PI3Kα inhibitor with IC50 values of 4·4, 128, 146 and 153 nM for PI3Kα, PI3Kγ, PI3Kδ and PI3Kβ, respectively

ChemicalCAS2715287-67-3MW383.4FormulaC18H21N7O3
CAS number
2715287-67-3
Molecular weight
383.4
Formula
C18H21N7O3
Solubility
DMSO ： 100 mg/mL (260·82 mM; ultrasonic and warming and heat to 80°C)
InChIKey
LOQNSAZUXOBMAX-UHFFFAOYSA-N
Catalogue number
GC73313
Brand
GLPBIO
Computed properties PubChem CID 164886635 · XLogP 1.3 · TPSA 116 Ų · H-bond donors 1
XLogP
1.3
TPSA
116 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
28

SMILES C1COCCN1C2=NC(=NC(=N2)C3=CC4=C(C=C3)OC(=N4)N)N5CCOCC5

Computed descriptors from PubChem (CID 164886635), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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