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Chemical structure of KIRA-7

GC64238

KIRA-7

Also known as 1-[4-[8-amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-fluorophenyl)urea

KIRA-7, an imidazopyrazine compound, binds the IRE1α kinase (IC50 of 110 nM) to allosterically inhibit its RNase activity

ChemicalCAS1937235-76-1MW466.51FormulaC27H23FN6O
CAS number
1937235-76-1
Molecular weight
466.51
Formula
C27H23FN6O
Solubility
DMSO : 100 mg/mL (214·36 mM; Need ultrasonic)
InChIKey
BMEJPYIGRYVVEF-UHFFFAOYSA-N
Catalogue number
GC64238
Brand
GLPBIO
Computed properties PubChem CID 121596794 · XLogP 5.1 · TPSA 97.3 Ų · H-bond donors 3
XLogP
5.1
TPSA
97.3 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35

SMILES CC1(CC1)C2=NC(=C3N2C=CN=C3N)C4=CC=C(C5=CC=CC=C54)NC(=O)NC6=CC(=CC=C6)F

Computed descriptors from PubChem (CID 121596794), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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