Chemistry:SHA-68

SHA-68
Clinical data
ATC code	none;
Identifiers
	IUPAC name N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide;
PubChem CID	11374217;
IUPHAR/BPS	5813;
ChemSpider	9549134;
ChEMBL	ChEMBL469695;
Chemical and physical data
Formula	C26H24FN3O3
Molar mass	445.494 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES c4ccccc4C1(c5ccccc5)OC(=O)N3C1CN(CC3)C(=O)NCc(cc2)ccc2F;
	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); Key:SFRQIPRTNYHJHP-UHFFFAOYSA-N;
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Short description: Chemical compound

SHA-68 is a drug which acts as a selective, non-peptide antagonist at the neuropeptide S receptor NPSR. In animal studies it reduced motor stereotypes, and blocks the stimulant action of neuropeptide S.^[1]^[2]

References

↑ Fukatsu K, Nakayama Y, Tarui N, Mori M, Matsumoto H, Kurasawa O, Banno H. Bicyclic Piperazine Compound and Use Thereof. PCT Patent WO 2005/021555 A1. Published 26.08.2004
↑ "Synthesis and pharmacological in vitro and in vivo profile of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-apyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68), a selective antagonist of the neuropeptide S receptor"]. The Journal of Pharmacology and Experimental Therapeutics 325 (3): 893–901. June 2008. doi:10.1124/jpet.107.135103. PMID 18337476.

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Original source: https://en.wikipedia.org/wiki/SHA-68. Read more

Clinical data

ATC code	none
Identifiers
IUPAC name N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID	11374217
IUPHAR/BPS	5813
ChemSpider	9549134
ChEMBL	ChEMBL469695
Chemical and physical data
Formula	C₂₆H₂₄FN₃O₃
Molar mass	445.494 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES c4ccccc4C1(c5ccccc5)OC(=O)N3C1CN(CC3)C(=O)NCc(cc2)ccc2F
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) Key:SFRQIPRTNYHJHP-UHFFFAOYSA-N
(verify)