ChemicalBook CAS DataBase List 1043495-96-0

1043495-96-0

Name	trace amine receptor 1
CAS	1043495-96-0
Molecular Formula	C13H18N2O
MDL Number	MFCD28405494
Molecular Weight	218.29
MOL File	1043495-96-0.mol

Chemical Properties

Boiling point	330.9±25.0 °C(Predicted)
density	1.13±0.1 g/cm3(Predicted)
storage temp.	-20°C
solubility	Soluble in DMSO
form	Solid
pka	8.58±0.70(Predicted)
color	White to off-white
biological source	rabbit
Optical Rotation	[α]/D 14 to 19°, c =1 in methanol
InChI	1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1
InChIKey	IXDKFUBXESWHSL-JQWIXIFHSA-N
SMILES	CC[C@@H](C[C@H]1COC(N)=N1)C2=CC=CC=C2

Safety Data

Hazard Codes	Xn
Risk Statements	22 less more
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

RO 5256390 is a trace amine-associated receptor 1(TAAR1) agonist which may be used as treatment of cocaine addiction.

Biological Activity

RO5256390 is an agonist of Trace amine-associated receptor 1 (TAAR1)a GPCR primarily found in the brainexpressed in areas where the major monoamine amine transmitters (DA and NE) are also present. RO5256390 is a selective TAAR1 agonist shown to be a negative regulator of dopamine transmission. It has antipsychotic activity in models of schizophreniareduces cocaineμs reinforcng effectsand blocks binge-eating disorder.

in vivo

RO5256390 (0-15 μg Intracranial administration for 10 minutes; 0-10 mg/kg Intraperitoneal injection for 30 minutes; Single dose) can block compulsive overeating behavior in rats^[2].
RO5256390 (0.03-30 mg/kg; Oral administration; 15-60 minutes) exhibits pro-cognitive and antidepressant-like properties in rodent and primate models. RO5256390 produces a brain activation pattern reminiscent of Olanzapine (HY-14541) in rodents^[3].

Animal Model:	Wistar rats aged 45 days old with binge-like eating^[2]
Dosage:	0, 1.5, 5 and 15 μg per side; 0, 1, 3, 10 mg/kg
Administration:	Intracranial administration (ICV); 10 min prior to the operant sessions; Intraperitoneal injection (i.p.); 30 min prior to the operant sessions
Result:	Blocked binge-like eating in rats responding 1 h per day for a highly palatable sugary diet. Selectively reduced the rate and regularity of palatable food responding, but it did not affect either baseline intake or food restriction-induced overeating of the standard chow diet. Fully blocked compulsive-like eating when the palatable diet was offered in an aversive compartment of a light/dark conflict box, and blocked the conditioned rewarding properties of palatable food, as well as palatable food-seeking behavior in a second-order schedule of reinforcement.

Animal Model:	C57BL/6J mice, NMRI mice, Sprague-Dawley rats, Long-Evans rats and Cynomolgus macaques^[3]
Dosage:	0.03-3 mg/kg; 0.01-1 mg/kg; 1-30 mg/kg; 1-10 mg/kg; 0.3-3 mg/kg
Administration:	Oral administration (p.o.); 15min, 30 min or 60 min
Result:	Blocked psychostimulant-induced hyperactivity. Did not induce cataplexy or weight gain. Improved cognitive performance in cynomolgus macaques. Inhibited psychostimulant induced hyperactivity. Reversed cognitive deficits in rats.

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