| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Glucocorticoid receptor (GR; IC50 = 2.1 nM), Progesterone receptor (PR; IC50 = 1200 nM), Mineralocorticoid receptor (MR; IC50 = 210 nM).
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|---|---|
| ln Vitro |
The glucocorticoid receptor agonist ((R)-16) affects aromatase with an EC50 value of 11 nM as well as MMTV and IL-6 with IC50 values of 3.3 and 80 nM, respectively [1].
The compound is a potent GR agonist with an IC50 of 2.1 nM. It shows selectivity for GR over PR (IC50 = 1200 nM) and MR (IC50 = 210 nM). It exhibits steroid-like anti-inflammatory properties and may improve metabolism and reduce body fat. |
| ln Vivo |
In Sprague-Dawley rats, the glucocorticoid receptor agonist ((R)-16) demonstrates advantageous pharmacokinetic characteristics [1]. Glucocorticoid receptor agonist ((R)-16) (30 and 10 mg/kg, oral, daily, 5 weeks) significantly inhibits the production of TNF- Mouse model of α and lowers elevated levels of body fat and serum insulin [1]. Sprague-Dawley rats were given 5 mg/kg iv or 30 mg/kg po of the glucocorticoid receptor agonist ((R)-16) according to the pharmacokinetic parameters [1]. AUCinf (po) (h·ng/mL) F(po)% (R)-16 49 7.6 1.85 509 4879 48 Parameter Cl (iv) (mL/min/kg) VSS (iv) (L/kg) T1/2 (iv) (h) Cmax (po) (ng/mL)
The compound is expected to show anti-inflammatory effects in animal models of inflammation. It may also improve metabolic parameters including reduced body fat and increased serum insulin levels. |
| Enzyme Assay |
GR binding affinity is measured using radioligand binding assays with [3H]-dexamethasone in cytosolic preparations from cells expressing human GR. Competition binding experiments determine the IC50 and Ki values. Transactivation assays using GR-responsive reporter genes measure the compound's agonist activity.
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| Cell Assay |
Cells expressing GR (e.g., A549 or HeLa cells) are treated with the compound. GR-mediated gene expression (e.g., luciferase reporter assay) and downstream anti-inflammatory effects (e.g., inhibition of NF-kappaB and cytokine production) are measured.
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| Animal Protocol |
Animal models of inflammation (e.g., carrageenan-induced paw edema or LPS-induced sepsis) are used to assess anti-inflammatory efficacy. Metabolic effects are assessed in diet-induced obesity models by measuring body weight, fat mass, and serum insulin levels following chronic treatment.
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| ADME/Pharmacokinetics |
Predicted to have good oral bioavailability due to its steroid-like structure. Likely bound to plasma proteins (e.g., corticosteroid-binding globulin). Metabolized by CYP450 enzymes. Half-life is expected to be several hours.
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| Toxicity/Toxicokinetics |
As a glucocorticoid receptor agonist, the compound is expected to have side effects similar to corticosteroids, including immunosuppression, glucose intolerance, osteoporosis, and adrenal suppression with chronic use. The selectivity profile may reduce some of these effects.
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| References | |
| Additional Infomation |
This compound is a research tool for studying glucocorticoid receptor biology and the therapeutic potential of selective GR agonists. It has not been approved for clinical use. The compound's mechanism involves GR-mediated transactivation and transrepression, leading to anti-inflammatory and metabolic effects.
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| Molecular Formula |
C20H20N2O2F4
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|---|---|
| Molecular Weight |
396.3786
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| Exact Mass |
396.146
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| CAS # |
1245526-82-2
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| PubChem CID |
46937290
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| Appearance |
White to yellow solid powder
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| LogP |
4.611
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
545
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC(C)(C[C@@](CC1=CC2=C(N1)C=NC=C2)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O
|
| InChi Key |
JFUAWXPBHXKZGA-IBGZPJMESA-N
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| InChi Code |
InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-5-6-25-10-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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| Chemical Name |
4-fluoro-2-[(4R)-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
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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 (~252.28 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.31 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 (6.31 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 (6.31 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 | 2.5228 mL | 12.6142 mL | 25.2283 mL | |
| 5 mM | 0.5046 mL | 2.5228 mL | 5.0457 mL | |
| 10 mM | 0.2523 mL | 1.2614 mL | 2.5228 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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