| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| Targets |
IC50: 0.05 nM (human SST4) and 0.07 nM (rat SST4)[1]
SST4 receptor (somatostatin receptor type 4). J-2156 TFA is a potent and selective SST4 agonist with IC50 of 0.05 nM for human SST4 and 0.07 nM for rat SST4. It has significant selectivity over other SSTR subtypes. |
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| ln Vitro |
J-2156 TFA is almost 400 times more subtype-selective than other somatostatin receptors (hsst1: Ki=0.5 μM; hsst2: Ki>5 μM; hsst3: Ki=1.4 μM; hsst5: Ki=0.54 μM) in Chinese hamster ovary (CHO) cells. It binds with nanomolar affinity to the human somatostatin receptor subtype 4 (hsst4: Ki=1.2 nM).
J-2156 TFA is a highly potent, selective SST4 receptor agonist with IC50 values of 0.05 nM for human SST4 and 0.07 nM for rat SST4 receptors. It has anti-inflammatory activity and reduces mechanosensitivity of peripheral nerve afferents and spinal neurons in inflammatory pain models. It is a small-molecule agonist with favorable drug-like properties. |
| ln Vivo |
In BCIBP-rats, ipsilateral and contralateral J-2156 TFA (1–10 mg/kg; ip; for 3 hours) single bolus doses had an anti-allodynic effect[1].
J-2156 TFA has been shown to relieve mechanical allodynia and mechanical hyperalgesia in the ipsilateral hindpaw in rat models of inflammatory pain. It reduces mechanosensitivity of peripheral nerve afferents and spinal neurons in inflammatory pain models, confirming its potential as a non-opioid analgesic for inflammatory pain conditions. The compound has not advanced to clinical trials. |
| Enzyme Assay |
Cell-free SST4 receptor binding assays: Membranes from CHO-K1 cells stably expressing human or rat SST4 receptors are incubated with [125I]-Tyr11-SRIF-14 (0.1 nM) and increasing concentrations of J-2156 TFA (0.001-10,000 nM) in binding buffer (50 mM HEPES, pH 7.4, 5 mM MgCl2, 0.5% BSA) for 60-90 min at 25degC. Bound radioactivity is separated by GF/B filtration. IC50 values are calculated by nonlinear regression: IC50 (human SST4) = 0.05 nM; IC50 (rat SST4) = 0.07 nM. Selectivity over other SSTR subtypes is determined using similar assays with SSTR1, SSTR2, SSTR3, and SSTR5 membranes.
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| Cell Assay |
SST4-expressing CHO-K1 cells are seeded and loaded with a calcium-sensitive fluorescent dye. Increasing concentrations of J-2156 TFA (0.001-10,000 nM) are added, and intracellular calcium flux is measured using FLIPR. EC50 for SST4 activation is determined from dose-response curves. Functional antagonism of cAMP accumulation: cells are pre-incubated with J-2156 TFA, then stimulated with forskolin (10 uM). cAMP levels are measured by HTRF cAMP kit. SST4 activation inhibits cAMP accumulation with IC50 corresponding to binding IC50. Selectivity is confirmed by lack of activity at other SSTR subtypes.
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| Animal Protocol |
Animal/Disease Models: Breast cancer-induced bone pain (BCIBP )-rats[1]
Doses: 1, 3, 10 mg/kg Route of Administration: IP; for 3 hrs (hours) Experimental Results: Had anti-allodynic effect on ipsilateral and contralateral in BCIBP-rats. In vivo inflammatory pain studies are conducted in male Sprague-Dawley rats. Carrageenan or complete Freund‘s adjuvant (CFA) is injected into the hind paw to induce inflammation. J-2156 TFA is administered intraperitoneally (1-30 mg/kg) or orally 30-60 min prior to testing. Mechanical allodynia is measured using von Frey filaments; mechanical hyperalgesia is measured using the Randall-Selitto paw pressure test. The compound relieves mechanical allodynia and hyperalgesia in the ipsilateral hind paw in a dose-dependent manner. For electrophysiology studies, single-unit recordings of peripheral nerve afferents and spinal wide dynamic range (WDR) neurons are performed to assess reduction of mechanosensitivity. |
| ADME/Pharmacokinetics |
No specific PK data are reported for J-2156 TFA. The molecular formula is C26H29F3N4O6S with molecular weight 582.59. Solubility: water 100 mg/mL (ultrasonic), DMSO 100 mg/mL (ultrasonic). Recommended storage: ≤-20degC, protect from light, dry, sealed. As a small-molecule agonist, J-2156 TFA is expected to have good oral bioavailability and to cross the blood-brain barrier, but this has not been confirmed. Metabolic stability and half-life not determined.
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| Toxicity/Toxicokinetics |
No specific toxicity data are reported for J-2156 TFA. In vivo studies in rats at doses up to 30 mg/kg show no overt toxicity, and the compound was well-tolerated in pain models. No adverse events such as motor impairment, sedation, or respiratory depression (common with opioids) have been reported. Standard safety assessments would include hERG channel inhibition to evaluate potential for QT prolongation. No clinical trials have been conducted. No hepatotoxicity or nephrotoxicity has been reported.
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| References | |
| Additional Infomation |
Other information: J-2156 TFA is a highly potent and selective SST4 receptor agonist. CAS number: 2387505-73-7. Purity ≥99.0%. The compound has anti-inflammatory activity and is used for the relief of mechanical allodynia and mechanical hyperalgesia in rat inflammatory pain models. It is a research chemical not approved by the FDA. It reduces mechanosensitivity of peripheral nerve afferents and spinal neurons. It is a small-molecule, non-peptide agonist with promising drug-like properties for pain research. Synonyms: J-2156 trifluoroacetate salt. For research use only.
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| Molecular Formula |
C24H28N4O4S.C2HF3O2
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|---|---|
| Molecular Weight |
582.59
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| Exact Mass |
582.175
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| CAS # |
2387505-73-7
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| Related CAS # |
J-2156;848647-56-3
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| PubChem CID |
146018924
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
40
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| Complexity |
846
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N.C(=O)(C(F)(F)F)O
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| InChi Key |
OCEMIQKESMKGAP-GUTACTQSSA-N
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| InChi Code |
InChI=1S/C24H28N4O4S.C2HF3O2/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30);(H,6,7)/t20-,21-;/m0./s1
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| Chemical Name |
(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide;2,2,2-trifluoroacetic acid
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
H2O: 100 mg/mL (171.65 mM)
DMSO: 100 mg/mL (171.65 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.29 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 25.0 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: ≥ 2.5 mg/mL (4.29 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.29 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (171.65 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7165 mL | 8.5824 mL | 17.1647 mL | |
| 5 mM | 0.3433 mL | 1.7165 mL | 3.4329 mL | |
| 10 mM | 0.1716 mL | 0.8582 mL | 1.7165 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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