| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
TSHR[1]
Thyrotropin receptor (TSHR). TSHR antagonist S37b is the less effective enantiomer of TSHR antagonist S37a. It shows only a minor effect on TSHR inhibition and is not a potent antagonist. It is utilized primarily in research of thyroid function. |
|---|---|
| ln Vitro |
TSHR antagonist S37b exhibits minimal efficacy in inhibiting the thyrotropin receptor (TSHR) compared to its more potent enantiomer, S37a. This makes it a useful negative control for validating the specific effects of TSHR antagonism. No specific in vitro activity value (e.g., IC50) is reported for S37b.
|
| ln Vivo |
Not reported. The compound is used for thyroid function research, but no specific in vivo data is available. TSHR is a key regulator of thyroid metabolism and growth, and antagonists like S37b (or the active S37a) can help dissect the role of this receptor in both normal and pathological conditions, such as Graves' disease.
|
| Enzyme Assay |
A cell-free binding assay can be performed using human TSHR purified or from membrane preparations of TSHR-expressing cells. A radiolabeled TSHR ligand (e.g., [125I]-TSH) is incubated with the receptor and varying concentrations of S37b. After the reaction, bound and free ligand are separated, and radioactivity is counted to calculate binding inhibition.
|
| Cell Assay |
A standard cellular assay uses CHO cells stably expressing human TSHR. Cells are seeded in 96-well plates and pre-incubated with varying concentrations of S37b, then stimulated with a submaximal concentration of TSH. cAMP accumulation is measured using an HTRF-based detection kit. For the less active S37b, the inhibitory effect on cAMP is expected to be minimal, especially compared to its counterpart S37a.
|
| Animal Protocol |
In vivo studies can be performed in rodent models, such as the Graves' orbitopathy mouse model. TSHR antagonists are administered via intraperitoneal (i.p.) injection. Endpoints include blood levels of thyroid hormones (T3, T4) and TSH, as well as histological analysis of the thyroid gland and orbital tissue to assess changes in disease markers.
|
| ADME/Pharmacokinetics |
Not reported. As a research tool, the pharmacokinetic properties of S37b have not been characterized. Given its small molecule nature (MW 460.57), it is likely to have some degree of oral bioavailability and permeability.
|
| Toxicity/Toxicokinetics |
Not reported. As a low-activity enantiomer, it is unlikely to exhibit significant on-target toxicity. However, the more potent S37a is under investigation for potential therapeutic applications in Graves' orbitopathy, suggesting that TSHR antagonism can be well-tolerated.
|
| References | |
| Additional Infomation |
TSHR antagonist S37b is derived from a small-molecule antagonist series developed for the treatment of Graves' disease and thyroid eye disease. It is a crucial negative control in experiments, allowing researchers to confirm that observed effects of the potent antagonist S37a are specifically due to TSHR inhibition and not off-target activities. By comparing the effects of the two enantiomers, the specificity of the TSHR antagonist's action can be rigorously validated.
|
| Molecular Formula |
C25H20N2O3S2
|
|---|---|
| Molecular Weight |
460.57
|
| Exact Mass |
460.091
|
| CAS # |
2143452-22-4
|
| Related CAS # |
TSHR antagonist S37a;2143452-20-2
|
| PubChem CID |
129427314
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
3.8
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
32
|
| Complexity |
907
|
| Defined Atom Stereocenter Count |
7
|
| SMILES |
C1(=O)[C@]2([H])[C@@]([H])([C@@]3([H])C[C@]2([H])[C@]2([H])[C@@H](C4=CC=CC=C4)C4SC(=O)NC=4S[C@]32[H])C(=O)N1C1=CC=CC=C1
|
| InChi Key |
YGFJFPYQZCZNIH-BYXVQRNISA-N
|
| 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-/m1/s1
|
| Chemical Name |
(1R,2R,9S,10R,11S,12S,16S)-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
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (217.12 mM)
|
|---|---|
| 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) (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 (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 | 2.1712 mL | 10.8561 mL | 21.7122 mL | |
| 5 mM | 0.4342 mL | 2.1712 mL | 4.3424 mL | |
| 10 mM | 0.2171 mL | 1.0856 mL | 2.1712 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
