| Identification | Back Directory | [Name]
A 804598 | [CAS]
1125758-85-1 | [Synonyms]
CS-2234
A 804598
A-804598 （(A 804598
1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
2-Cyano-1-[(1S)-1-phenylethyl]-3-(5-quinolinyl)guanidine
N-Cyano-N′′-[(1S)-1-phenylethyl]-N′-5-quinolinyl-guanidine
Guanidine, N-cyano-N''-[(1S)-1-phenylethyl]-N'-5-quinolinyl- | [Molecular Formula]
C19H17N5 | [MDL Number]
MFCD22683834 | [MOL File]
1125758-85-1.mol | [Molecular Weight]
315.37 |
| Chemical Properties | Back Directory | [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 | [form ]
powder | [pka]
4.52±0.12(Predicted) | [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 Data | Back Directory | [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 |
| Hazard Information | Back Directory | [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]
A chroni treatment with A-804598 (intraperitoneal injection; 30 mg/kg; five times a week) decreases the expression of LC3B-II and SQSTM1/p62 in lumbar spinal cord at end stage of disease[3]. | Animal Model: | Adult B6.Cg-Tg (SOD1-G93A) 1Gur/J female mice [3] | | Dosage: | 30 mg/kg | | Administration: | Intraperitoneal injection; five times a week | | Result: | Decreased SQSTM1/p62 expression. |
| [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. |
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BOC Sciences
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1-631-485-4226; 16314854226 |
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https://www.bocsci.com |
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