| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Asn107 ( IC50 = 22 nM ); Ile107 ( IC50 = 23.8 nM )
SHA 68 targets the neuropeptide S receptor (NPSR), a G protein-coupled receptor activated by neuropeptide S (NPS). It acts as a potent and selective non-peptide antagonist, blocking NPS-mediated signaling. By antagonizing NPSR, it modulates the physiological and pharmacological roles of the NPS system, including anxiety, arousal, and stress responses. |
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| ln Vitro |
In vitro, SHA 68 potently inhibits NPSR with IC50 values of 22.0 nM for NPSR Asn107 and 23.8 nM for NPSR Ile107. It is a selective non-peptide antagonist of the neuropeptide S receptor. The compound's activity makes it a valuable tool for studying the physiological and pharmacological roles of the NPS system.
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| ln Vivo |
SHA 68 (i.p.; 5 and 50 mg/kg) reduces vertical rearing and climbing as well as horizontal activity induced by NPS[1]. SHA 68 (i.v.; 1 mg/kg) possesses a Vss of 2.53 L/kg, a CL of 4.29 mL/min/kg, and a T1/2 of 0.74 hours[1]. SHA 68 (i.p.; 2.5 mg/kg) has a CL of 4.56 mL/min/kg and a T1/2 of 0.43 hours[1]. |
| Enzyme Assay |
In vitro receptor binding assays for SHA 68 involve measuring its affinity for NPSR. Radioligand binding studies using ¹²⁵I-NPS or other NPSR ligands are performed on membranes from cells expressing the receptor. The compound is incubated with increasing concentrations, and IC50 values of 22.0 nM and 23.8 nM are determined. Functional assays measure its ability to antagonize NPS-induced signaling, such as calcium mobilization or cAMP modulation.
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| Cell Assay |
For in vitro cell-based assays, cells expressing NPSR are cultured and treated with SHA 68 at various concentrations. Receptor antagonism is confirmed by its ability to block NPS-induced calcium flux or cAMP modulation. Cell viability is assessed by standard assays. The compound's effects on downstream signaling pathways are analyzed by Western blot or other appropriate methods.
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| Animal Protocol |
Male C57BL/6 mice age 8-12 weeks
5 and 50 mg/kg i.p. In vivo animal studies with SHA 68 are conducted in models of anxiety and stress. The compound is administered intraperitoneally at doses such as 5 and 50 mg/kg. Behavioral tests such as the open field test are used to assess anxiety-like behavior. NPS-induced horizontal activity, vertical rearing, and climbing are measured. The compound's anxiogenic effects and limited brain penetration have been characterized. |
| ADME/Pharmacokinetics |
SHA 68 (CAS: 847553-89-3) has a molecular weight of 445.49 g/mol and a molecular formula of C26H24FN3O3. Chemical name: 3-Oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide. Appearance: white to beige solid. Solubility: DMSO 20 mg/mL. Storage: room temperature.
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| Toxicity/Toxicokinetics |
SHA 68 is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown a manageable safety profile. As an NPSR antagonist, it may have effects on anxiety and stress responses. The compound's limited blood-brain barrier penetration may limit its in vivo efficacy for central targets. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
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| Additional Infomation |
SHA 68 (SHA-68) is a potent and selective non-peptide antagonist of the neuropeptide S receptor (NPSR) with IC50 values of 22.0 nM and 23.8 nM for NPSR Asn107 and NPSR Ile107, respectively. It exhibits anxiogenic effects and has limited blood-brain barrier penetration. It has a molecular weight of 445.49 g/mol and a molecular formula of C26H24FN3O3. It is not FDA-approved and is intended for research use only.
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| Molecular Formula |
C26H24FN3O3
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|---|---|
| Molecular Weight |
445.485469818115
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| Exact Mass |
445.18
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| Elemental Analysis |
C, 70.10; H, 5.43; F, 4.26; N, 9.43; O, 10.77
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| CAS # |
847553-89-3
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| PubChem CID |
11374217
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| Appearance |
White to off-white solid powder
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| LogP |
4.382
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
681
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N2CCN(CC2C(C2C=CC=CC=2)(C2C=CC=CC=2)O1)C(NCC1C=CC(F)=CC=1)=O
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| InChi Key |
SFRQIPRTNYHJHP-UHFFFAOYSA-N
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| InChi Code |
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)
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| Chemical Name |
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
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| Synonyms |
SHA68; SHA-68; SHA 68
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~250 mg/mL (~561.2 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.67 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.67 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2447 mL | 11.2236 mL | 22.4472 mL | |
| 5 mM | 0.4489 mL | 2.2447 mL | 4.4894 mL | |
| 10 mM | 0.2245 mL | 1.1224 mL | 2.2447 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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