Physicochemical Properties
| Molecular Formula | C31H28F5N7O6S |
| Molecular Weight | 721.65 |
| CAS # | 2826273-90-7 |
| Appearance | Typically exists as solid at room temperature |
| 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 | GnRH-R antagonist 1 shows good stability in human and mouse microsomes and has a permeability of cells 140 times greater than Relugolix[1]. |
| ln Vivo | The safety profile of GnRH-R antagonist 1 (30 mg/kg; po; once daily for 7 days) is good when taken orally[1]. With a F% value of 44.7%, GnRH-R antagonist 1 (12 mg/kg; po; single) exhibits good pharmacokinetic characteristics and excellent oral bioavailability[1]. Rats' blood testosterone levels are inhibited by GnRH-R antagonist 1 (12 mg/kg; po; single) for longer than 24 hours[1]. |
| Animal Protocol |
Animal/Disease Models: Adult SD (Sprague-Dawley) rats (200-250 g)[1]. Doses: 30 mg/kg Route of Administration: Oral administration; single daily for 7 days. Experimental Results: demonstrated no ames toxicity. Animal/Disease Models: Adult SD (Sprague-Dawley) rats ( 200-250 g)[1]. Doses: 1 mg/kg (for iv); 12 mg/kg (for po) Route of Administration: intravenous (iv) administration; oral administration; single. Experimental Results: demonstrated clear and significnt suppressive effects on circulating testosterone levels in rats, and the suppressive effects lasted for more than 24 h. 1.19 pharmacokinetic/PK Parameters of GnRH-R antagonist 1 in Adult SD (Sprague-Dawley) rats[1]. IV (1 mg/kg) PO (12 mg/kg) Tmax (h ) - 1.13 Cmax (nmol/L) 3918.8 920.1 AUCLast (nmol/L·h) 1374.6 7370.6 CL (L/h/kg) 1.05 - t1/2 (h) 2.79 4.86 F (%) - 44.7 |
| References |
[1]. Discovery of the thieno[2,3-d]pyrimidine-2,4-dione derivative 21a: A potent and orally bioavailable gonadotropin-releasing hormone receptor antagonist. Eur J Med Chem. 2022 Aug 18;242:114679. |
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 | 1.3857 mL | 6.9286 mL | 13.8571 mL | |
| 5 mM | 0.2771 mL | 1.3857 mL | 2.7714 mL | |
| 10 mM | 0.1386 mL | 0.6929 mL | 1.3857 mL |