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Chemical structure of PERK-IN-4

GC75230

PERK-IN-4

Also known as 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone

PERK-IN-4 is a potent and selective PERK (protein kinase R (PKR)-like endoplasmic reticulum kinase) inhibitor with an IC 50 of 0·3 nM

ChemicalCAS1337531-89-1MW469.43FormulaC24H19F4N5O
CAS number
1337531-89-1
Molecular weight
469.43
Formula
C24H19F4N5O
Solubility
DMSO： 20·83 mg/mL (44·37 mM; Need ultrasonic)
InChIKey
PXVQGBJMIQCDEX-UHFFFAOYSA-N
Catalogue number
GC75230
Brand
GLPBIO
Computed properties PubChem CID 66561167 · XLogP 3.9 · TPSA 77 Ų · H-bond donors 1
XLogP
3.9
TPSA
77 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
34

SMILES CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC(=C5)F)C(F)(F)F

Computed descriptors from PubChem (CID 66561167), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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