ChemicalBook CAS DataBase List 634913-39-6

634913-39-6

Name	AER-271 (AER271)
CAS	634913-39-6
Molecular Formula	C15H9ClF6NO5P
MDL Number	MFCD32669785
Molecular Weight	463.65
MOL File	634913-39-6.mol

Chemical Properties

density	1.692±0.06 g/cm3(Predicted)
storage temp.	-20°C
solubility	DMSO:125.0(Max Conc. mg/mL);269.6(Max Conc. mM)
form	Solid
pka	0.97±0.50(Predicted)
color	White to off-white
InChIKey	WSHXPHFIHYXZKC-UHFFFAOYSA-N
SMILES	FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC(=O)c2c(ccc(c2)Cl)O[P](=O)(O)O

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

AER-271, a phosphonate proagent derivative of AER-270, is an aquaporin-4 (AQP4) inhibitor for the research of acute ischemic stroke[1].

Biological Activity

AER-271 is a phosphonate precursor (prodrug) form of the selective aquaporin 4 (AQP4) inhibitor IMD-0354 (AER-270; hu/m/r IC50 = 420/390/210 nM using respective CHO AQP4 transfectants) with >5000-fold enhanced solubility. AER-271 is rapidly converted to AER-270 in vivo (plasma AER-270 Cmax = 500 ng/mL or 1.75 μM20 min post 10 mg AER-271/kg i.p.; C57BL/6 mice) and exhibits therapeutic efficacy in rodent models of brain damage by cardiac arrest or ischemic stroke (5-10 mg/kg ip. & 0.08 mg/h sc. in mice; 1-10 mg/kg iv. in rats).

in vivo

AER-271 is converted in vivo to AER-270 by endogenous phosphatases. AER-271 blocks acute cerebral edema and improves early outcome in a pediatric model of asphyxial cardiac arrest^[1].
AER-271 reduces cerebral edema and improves neurological outcomes in rodent ischemic stroke models. Mice treated with AER-271 (5 mg/kg; i.p. injection) show improved outcomes and reduced cerebral edema in a model of ischemic stroke^[2].

Animal Model:	Male mice (C57BL/6J, 8-12?week-old, 25-30?g)^[2]
Dosage:	5?mg/kg
Administration:	Treated by i.p. injection
Result:	Had better outcomes with an average neurological score of 0.89±0.31 compared with control mice receiving vehicle had an average neurological score of 2.50±0.62.

References

[1] Wallisch JS, et al. The aquaporin-4 inhibitor AER-271 blocks acute cerebral edema and improves early outcome in a pediatric model of asphyxial cardiac arrest. Pediatr Res. 2019 Mar;85(4):511-517. DOI:10.1038/s41390-018-0215-5
[2] Farr GW, et al. Functionalized Phenylbenzamides Inhibit Aquaporin-4 Reducing Cerebral Edema and Improving Outcome in Two Models of CNS Injury. Neuroscience. 2019 Apr 15;404:484-498. DOI:10.1016/j.neuroscience.2019.01.034

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