PERK-IN-4 is a potent and specific PERK inhibitor (antagonist) with an IC 50 value of 0.3 nM. PERK is activated in response to endoplasmic reticulum stress associated with various disease states.

Physicochemical Properties

Molecular Formula	C24H19F4N5O
Molecular Weight	469.43
Exact Mass	469.152
CAS #	1337531-89-1
Related CAS #	PERK-IN-4-d3
PubChem CID	66561167
Appearance	White to off-white solid powder
Density	1.5±0.1 g/cm3
Boiling Point	710.9±60.0 °C at 760 mmHg
Flash Point	383.7±32.9 °C
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.660
LogP	4.42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	34
Complexity	753
Defined Atom Stereocenter Count	0
InChi Key	PXVQGBJMIQCDEX-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)
Chemical Name	1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 0.3 nM (PERK)[1]
References	[1]. Discovery of 7-methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a potent and selective first-in-class inhibitor of protein kinase R (PKR)-like endoplasmic reticulu.

Solubility Data

Solubility (In Vitro)

DMSO : 20.83 mg/mL (44.37 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.43 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1302 mL	10.6512 mL	21.3024 mL
	5 mM	0.4260 mL	2.1302 mL	4.2605 mL
	10 mM	0.2130 mL	1.0651 mL	2.1302 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.