ChemicalBook CAS DataBase List 1361321-96-1

1361321-96-1

Name	ACT-462206
CAS	1361321-96-1
Molecular Formula	C20H24N2O4S
MDL Number	MFCD28502270
Molecular Weight	388.48
MOL File	1361321-96-1.mol

Chemical Properties

density	1.285±0.06 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	Soluble in DMSO
form	Solid
pka	14.27±0.70(Predicted)
color	White to off-white
InChI	1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKey	NHPQGZOBHSVTAQ-IBGZPJMESA-N
SMILES	O=S(N1CCC[C@H]1C(NC2=CC(C)=CC(C)=C2)=O)(C3=CC=C(OC)C=C3)=O

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302
Precautionary statements	P301+P312+P330
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral

Hazard Information

Uses

ACT-462206 is a potent and selective dual orexin receptor antagonist (DORA) that inhibits the stimulating effects of the orexin peptides at both the orexin 1 and 2 receptors. It decreases wakefulness and increases non-rapid eye movement (non-REM) and REM sleep while maintaining natural sleep architectures in some animal models while showing anxiolytic-like properties without affecting cognition and motor function in others.

Biological Activity

ACT-462206 is a orally activebrain penetrantpotent and selective dual orexin1/2 receptor antagonist (DORA). ACT-462206 decreases wakefulnessdecreases sleep latencyand increases sleep efficacy in rats and dogs.''ACT-462206 is a proline sulphonamide with the potential to tre at insomnia. On absorptionits displays astheniablurred visionand fatigue as adverse events.

in vivo

ACT-462206 (compound 24) (100 mg/kg; p.o.; sampling at 3 h) can go cross blood brain barrier, with concentrations are 2267 ng/mL and 1219 ng/g in plasma and brain, respectively in male Wistar rats^[1].
ACT-462206 (10-300 mg/kg; p.o.; single dose) shows sleep-promoting effects in male Wistar rats and in male Beagle dogs, with decreasing wakefulness and increasing non-rapid eye movement (non-REM) and REM sleep^[1].
ACT-462206 (100, 300 mg/kg; p.o.; single dose) exerts anxiolytic-like effects, decreases the fear-potentiated startle reflexes in response to a sudden loud noise in rats, reduces the socialstress-induced increases of locomotion, body temperature, and heart rate^[1].
Pharmacokinetics in different species^[1]

	Route	Dose (mg/kg)	AUC (ng h/mL)	CL (mL/min/kg)	V_ss (L/kg)	t_1/2 (h)	c_max (ng/mL)	t_max (h)	F_1/2 (%)
rat	i.v.	1	586	29	1.8	1.9	/	/	/
	p.o.	10	2310	/	/	/	1600	0.5	39
dog	i.v.	1	1490	11	1.4	1.7	/	/	/
	p.o.	3	2750	/	/	/	426	0.5	52

Animal Model:	Male Wistar rats^[1]
Dosage:	0, 10, 30, 100, 300 mg/kg
Administration:	Oral gavage; single dose
Result:	Decreased the latency to the first persistent episode of non-REM sleep (60 s) and the first persistent episode of REM sleep (30 s). Dose-dependently decreased total wake time and behavioral home cage activity (one-way ANOVA; p <0.001), while increasing REM and non-REM sleep times.

IC 50

OX2; OX1

storage

Store at +4°C

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