A 804598 Chemical Properties

Boiling point:

498.0±47.0 °C(Predicted)

Density 

1.17±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,2-8°C

solubility 

DMSO: soluble10mg/mL, clear

pka

4.52±0.12(Predicted)

form 

powder

color 

white to beige

InChI

1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1

InChIKey

PQYCRDPLPKGSME-AWEZNQCLSA-N

SMILES

N(c2c3c(nccc3)ccc2)\C(=N/[C@@H](C)c1ccccc1)\NC#N

Safety Information

Hazard Codes 

T

Risk Statements 

25

Safety Statements 

45

RIDADR 

UN 2811 6.1 / PGIII

WGK Germany 

3

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 3 Oral

A 804598 Usage And Synthesis

Uses

A 804598 is a P2X7 antagonist.

Biological Activity

a 804598 is a potent and selective antagonist of p2x7 receptor with ic50 values of 8.9, 9.9 and 10.9 nm for mouse, rat and human p2x7 receptors, respectively [1].p2x purinoceptor 7 (p2x7 receptor) is a purinoceptor and is activated by high concentrations of atp. p2x7 receptor plays an important role in atp-mediated cell death, inflammation and regulation of receptor trafficking.a 804598 is a potent and selective p2x7 receptor antagonist. in differentiated thp-1 cells that expressed human p2x7 receptors, a 804598 inhibited bzatp stimulated yo-pro uptake and release of il-1β. in 1321n1 cells expressed recombinant rat p2x7 receptor, a 804598 showed high affinity with kd = 2.4 nm [1]. a 804598 inhibited bz-atp stimulated calcium influx with ic50 value of 28.71 nm in a concentration-dependent way. a-804598 was a potent p2x7 receptor antagonist with ki value of 7.51 nm [2].in adult male rats, footshock increased the mrna levels of cd14 and il-1β in the paraventricular nucleus. while a-804598 (25 mg/kg) partially inhibited these effects [3].

in vivo

IC 50

P2X7 Receptor

storage

Store at -20°C

References

[1]. donnelly-roberts dl, namovic mt, surber b, et al. [3h]a-804598 ([3h]2-cyano-1-[(1s)-1-phenylethyl]-3-quinolin-5-ylguanidine) is a novel, potent, and selective antagonist radioligand for p2x7 receptors. neuropharmacology, 2009, 56(1): 223-229.
[2]. able sl, fish rl, bye h, et al. receptor localization, native tissue binding and ex vivo occupancy for centrally penetrant p2x7 antagonists in the rat. br j pharmacol. 2011, 162(2): 405-414.
[3]. catanzaro jm1, hueston cm, deak mm, et al. the impact of the p2x7 receptor antagonist a-804598 on neuroimmune and behavioral consequences of stress. behav pharmacol, 2014, 25(5-6): 582-598.