FRG-8701 is a novel histidine H2-receptor blocker (antagonist) with IC50 of 0.25 to 0.43 μM.

Physicochemical Properties

Molecular Formula	C22H30N2O4S
Molecular Weight	418.5496
Exact Mass	418.193
CAS #	108498-50-6
PubChem CID	130145
Appearance	Typically exists as solid at room temperature
Density	1.226g/cm3
Boiling Point	675.2ºC at 760mmHg
Flash Point	362.1ºC
Vapour Pressure	4.35E-18mmHg at 25°C
Index of Refraction	1.588
LogP	4.743
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	29
Complexity	513
Defined Atom Stereocenter Count	0
SMILES	S(C([H])([H])C1=C([H])C([H])=C([H])O1)(C([H])([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=O)=O
InChi Key	IWLUMUDDKHJJPB-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H30N2O4S/c25-22(18-29(26)17-21-9-5-13-28-21)23-10-6-14-27-20-8-4-7-19(15-20)16-24-11-2-1-3-12-24/h4-5,7-9,13,15H,1-3,6,10-12,14,16-18H2,(H,23,25)
Chemical Name	2-(furan-2-ylmethylsulfinyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
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
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

ln Vitro	The positive chronotropic response to 10-5 M histamine is dose-dependently inhibited by FRG8701 (FRG-8701) famotidine or cimetidine; their respective IC50 values are 3.3, 3.0, and 108.6 (×10-7M). FRG8701 has an inhibitory potency that is almost 33 times stronger than cimetidine and nearly equal to famotidine [1].
ln Vivo	Rats with pyloric ligation (4 hours) showed dose-dependent inhibition of total acid output with intraduodenal injection of all drugs. Orally or intraperitoneally administered FRG8701 at doses of 10 or 30 mg/kg can effectively inhibit the development of gastric mucosal lesions generated by 0.4 N HCl + 50% ethanol (HCl·ethanol). Treatment with FRG8701 also prevented stomach damage brought on by other necrotic agents. The range of oral ED50 values for lesions is 1.1 to 9.4 mg/kg. When taken orally, FRG8701 reduces the risk of stomach damage brought on by stress and indomethacin in a dose-dependent manner. Moreover, FRG8701 prevents duodenal ulcers caused by mepizole. The ED50 values of FRG8701 for each ulcer model range from 1.7 to 6.9 mg/kg[1].
References	[1]. Effects of FRG-8701 on gastric acid secretion, gastric mucosal lesions by necrotizing agents and experimental gastric or duodenal ulcer in rats. Jpn J Pharmacol. 1990 Nov;54(3):277-85.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3892 mL	11.9460 mL	23.8920 mL
	5 mM	0.4778 mL	2.3892 mL	4.7784 mL
	10 mM	0.2389 mL	1.1946 mL	2.3892 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.