| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| ln Vitro |
TSHR is inhibited by the TSHR antagonist S37a. The half-life of mTSHR and hTSHR in HEK293 cells is 40 µM and roughly 20 µM, respectively [1]. The TSHR antagonist S37a blocks not only the thyrotropin-induced activation of TSHR but also the activation of the allosteric small molecule agonist C2, the human monoclonal TSAb M22, and the mouse monoclonal KSAb1 [1].
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| ln Vivo |
The TSHR antagonist S37a also inhibits cyclic adenosine monophosphate production via an oligoclonal TSAb that is substantially abundant in the sera of GO patients [1]. The TSHR antagonist S37a (10 mg/kg; ig) demonstrates no toxicity in mice and has an oral bioavailability of up to 53% [1].
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| Animal Protocol |
Animal/Disease Models: SWISS (CD1) mice (38-43 g) [1]
Doses: 10 mg/kg Route of Administration: po (oral gavage) Experimental Results: Oral bioavailability is as high as 53%, and the half-life after oral administration is 2.9 hrs (hrs (hours)). |
| References |
| Molecular Formula |
C25H19N2O3S2
|
|---|---|
| Molecular Weight |
459.5600
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| Exact Mass |
460.091
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| CAS # |
2143452-20-2
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| Related CAS # |
TSHR antagonist S37b;2143452-22-4
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| PubChem CID |
132083268
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
32
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| Complexity |
907
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| Defined Atom Stereocenter Count |
7
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| SMILES |
S1C2=C([C](C3C([H])=C([H])C([H])=C([H])C=3[H])[C@@]3([H])[C@]1([H])[C@@]1([H])C([H])([H])[C@]3([H])[C@@]3([H])C(N(C4C([H])=C([H])C([H])=C([H])C=4[H])C([C@@]13[H])=O)=O)SC(N2[H])=O |^1:3|
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| InChi Key |
YGFJFPYQZCZNIH-HSXTZPDUSA-N
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| InChi Code |
InChI=1S/C25H20N2O3S2/c28-23-18-14-11-15(19(18)24(29)27(23)13-9-5-2-6-10-13)20-17(14)16(12-7-3-1-4-8-12)21-22(31-20)26-25(30)32-21/h1-10,14-20H,11H2,(H,26,30)/t14-,15-,16-,17-,18+,19-,20-/m0/s1
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| Chemical Name |
(1S,2S,9R,10S,11R,12R,16R)-9,14-diphenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
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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 : ~100 mg/mL (~217.12 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.43 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 (5.43 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (5.43 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1760 mL | 10.8800 mL | 21.7599 mL | |
| 5 mM | 0.4352 mL | 2.1760 mL | 4.3520 mL | |
| 10 mM | 0.2176 mL | 1.0880 mL | 2.1760 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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