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SHA 68

Product NameSHA 68
CAS847553-89-3
MFC26H24FN3O3
MW445.49
EINECS
MOL File847553-89-3.mol

Chemical Properties

Boiling point	727.8±60.0 °C(Predicted)
Density	1.35±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMF: 16 mg/ml; DMSO: 14 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.33 mg/ml
form	A crystalline solid
pka	13.32±0.40(Predicted)
color	White to off-white
InChI	InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
InChIKey	SFRQIPRTNYHJHP-UHFFFAOYSA-N
SMILES	C12C(C3=CC=CC=C3)(C3=CC=CC=C3)OC(=O)N1CCN(C(NCC1=CC=C(F)C=C1)=O)C2

Safety Information

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Usage And Synthesis

Description

SHA-68 is an antagonist of the neuropeptide S receptor (NPSR; IC₅₀s = 22 and 23.8 nM for the NPSR Asn¹⁰⁷ and NPSR Ile¹⁰⁷ isoforms, respectively). It is selective for NPSR over a panel of 14 G protein-coupled receptors exhibiting no activity at a concentration of 10 μM. SHA-68 (50 mg/kg) reduces NPS-induced horizontal activity and vertical rearing and climbing in mice. SHA-68 also reduces conditioned reinstatement of cocaine seeking in rats.

Uses

SHA 68 is a selective neuropeptide S antagonist.

in vivo

SHA 68 (i.p.; 5 and 50 mg/kg) reduces NPS-induced horizontal activity and vertical rearing and climbing^[1].
SHA 68 (i.v.; 1 mg/kg) has a T_1/2 of 0.74 hours, a CL of 4.29 mL/min/kg, and a V_ss of 2.53 L/kg^[1].
SHA 68 (i.p.; 2.5 mg/kg) has a T_1/2 of 0.43 hours, a CL of 4.56 mL/min/kg^[1].

Animal Model:	Male C57BL/6 mice age 8-12 weeks^[1]
Dosage:	5 and 50 mg/kg
Administration:	i.p.
Result:	Reduced NPS-induced horizontal activity and vertical rearing and climbing.

Animal Model:	Male C57BL/6 mice age 8-12 weeks^[1]
Dosage:	1 mg/kg (Pharmacokinetic Analysis)
Administration:	i.p.
Result:	Had a T_1/2 of 0.74 hours, a CL of 4.29 mL/min/kg, and a V_ss of 2.53 L/kg.

storage

Store at +4°C

References

[1] NAOE OKAMURA. Synthesis and pharmacological in vitro and in vivo profile of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68), a selective antagonist of the neuropeptide S receptor.[J]. Journal of Pharmacology and Experimental Therapeutics, 2008, 325 3: 893-901. DOI: 10.1124/jpet.107.135103
[2] MARSIDA KALLUPI. Neuropeptide S facilitates cue-induced relapse to cocaine seeking through activation of the hypothalamic hypocretin system.[J]. Proceedings of the National Academy of Sciences of the United States of America, 2010: 19567-19572. DOI: 10.1073/pnas.1004100107

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