J-2156 TFA is a potent and specific somatostatin receptor type 4 (SST4) agonist/activator with IC50s of 0.05 nM and 0.07 nM for human and rat SST4 receptors, respectively. J-2156 TFA has anti-inflammatory effects and can alleviate mechanical allodynia and mechanical hyperalgesia in the ipsilateral hind paw in rats.

Physicochemical Properties

Molecular Formula	C24H28N4O4S.C2HF3O2
Molecular Weight	582.59
Exact Mass	582.175
CAS #	2387505-73-7
Related CAS #	J-2156;848647-56-3
PubChem CID	146018924
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Heavy Atom Count	40
Complexity	846
Defined Atom Stereocenter Count	2
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
InChi Key	OCEMIQKESMKGAP-GUTACTQSSA-N
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
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
HS Tariff Code	2934.99.9001
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)

Biological Activity

Targets	IC50: 0.05 nM (human SST4) and 0.07 nM (rat SST4)[1]
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).
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].
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.
References	[1]. The Somatostatin Receptor-4 Agonist J-2156 Alleviates Mechanical Hypersensitivity in a Rat Model of Breast Cancer Induced Bone Pain. Front Pharmacol. 2018 May 15;9:495. [2]. Superagonism at the Human Somatostatin Receptor Subtype 4. J Pharmacol Exp Ther. 2005 Jan;312(1):332-8.

Solubility Data

Solubility (In Vitro)

H2O: 100 mg/mL (171.65 mM) DMSO: 100 mg/mL (171.65 mM)

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. 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. 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 corn oil and mix evenly. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

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.