Name: Name:SHA 68
Brand: AABLOCKS
SKU: AA00GAFO
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GAFO

Chemical Name: SHA 68

CAS Number: 847553-89-3

Molecular Formula: C26H24FN3O3

Molecular Weight: 445.4855

MDL Number: MFCD22683843

SMILES: Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1

Properties

Complexity: 681

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 33

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 3.7

Literature fold

Title: Intranasally administered neuropeptide S (NPS) exerts anxiolytic effects following internalization into NPS receptor-expressing neurons.

Journal: Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology20120501

Title: [tBu-D-Gly5]NPS, a pure and potent antagonist of the neuropeptide S receptor: in vitro and in vivo studies.

Journal: Peptides20120401

Title: Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).

Journal: Journal of medicinal chemistry20110428

Title: Neuropeptide S facilitates cue-induced relapse to cocaine seeking through activation of the hypothalamic hypocretin system.

Journal: Proceedings of the National Academy of Sciences of the United States of America20101109

Title: Further studies on the pharmacological profile of the neuropeptide S receptor antagonist SHA 68.

Journal: Peptides20100501

Title: Importance of extracellular loop one of the neuropeptide S receptor for biogenesis and function.

Journal: Peptides20100101

Title: Identifying structural features on 1,1-diphenyl-hexahydro-oxazolo[3,4-a]pyrazin-3-ones critical for Neuropeptide S antagonist activity.

Journal: Bioorganic & medicinal chemistry letters20080715

Title: 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.

Journal: The Journal of pharmacology and experimental therapeutics20080601

Title: Okamura N, et al. Synthesis and pharmacological in vitro and in vivo profile of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo,4-apyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68), a selective antagonist of the neuropeptide S receptor.J Pharmacol Exp Ther. 2008 Jun;325(3):893-901.

Title: Ensho T, et al. Neuropeptide S increases motor activity and thermogenesis in the rat through sympathetic activation.Neuropeptides. 2017 Oct;65:21-27.

847553-89-3 | SHA 68