N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide

Base Information Edit

Chemical Name:N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide
CAS No.:847553-89-3
Molecular Formula:C₂₆H₂₄FN₃O₃
Molecular Weight:445.493
Hs Code.:
ChEMBL ID:CHEMBL469695
DSSTox Substance ID:DTXSID801028552
Pharos Ligand ID:V9FD4XJYMVKP
Wikidata:Q7390157
Wikipedia:SHA-68
Mol file:847553-89-3.mol

Synonyms:3-oxo-1,1-diphenyltetrahydrooxazolo(3,4-a)pyrazine-7-carboxylic acid 4-fluorobenzylamide;SHA 68;SHA-68;SHA68 cpd

Suppliers and Price of N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
SHA 68
10mg
$ 466.00

TRC
SHA68
10mg
$ 200.00

Tocris
SHA68 ≥98%(HPLC)
50
$ 898.00

Tocris
SHA68 ≥98%(HPLC)
10
$ 223.00

ChemScene
SHA68 98.05%
100mg
$ 1050.00

ChemScene
SHA68 98.05%
50mg
$ 595.00

ChemScene
SHA68 98.05%
10mg
$ 150.00

Cayman Chemical
SHA-68 ≥95%
5mg
$ 89.00

Cayman Chemical
SHA-68 ≥95%
1mg
$ 28.00

Cayman Chemical
SHA-68 ≥95%
10mg
$ 163.00

Total 28 raw suppliers

Chemical Property of N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide Edit

Chemical Property:

Boiling Point:727.8±60.0 °C(Predicted)
PKA:13.32±0.40(Predicted)
PSA：61.88000
Density:1.35±0.1 g/cm3(Predicted)
LogP:4.38220
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:445.18016980
Heavy Atom Count:33
Complexity:681

Purity/Quality:

99%+, ^*data from raw suppliers

SHA 68 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN2C(CN1C(=O)NCC3=CC=C(C=C3)F)C(OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5
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.

Technology Process of N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide

There total 28 articles about N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%