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SR-2211

Alias: SR2211SR 2211 SR-2211
Cat No.:V7906 Purity: ≥98%
SR2211 is a potent, selective synthetic modulator of RORγ that functions as an inverse agonist with Ki of 105 nM and IC50 of ~320 nM.
SR-2211
SR-2211 Chemical Structure CAS No.: 1359164-11-6
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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5mg
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Product Description
SR2211 is a potent, selective synthetic modulator of RORγ that functions as an inverse agonist with Ki of 105 nM and IC50 of ~320 nM.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
IL-17 gene expression was reduced by SR2211 treatment of EL4. In a similar vein, SR2211 markedly reduced the expression of the IL-23 receptor (Il23r). When EL-4 cells were treated with SR2211, IL-17 intracellular staining was dramatically reduced as compared to cells that were treated with vehicle [1].
References

[1]. Identification of SR2211: a potent synthetic RORγ-selective modulator. ACS Chem Biol. 2012 Apr 20;7(4):672-7.

[2]. Identification of N-phenyl-2-(N-phenylphenylsulfonamido)acetamides as new RORγ inverse agonists: Virtual screening, structure-based optimization, and biological evaluation. Eur J Med Chem. 2016 Jun 30;116:13-26.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C26H24F7N3O
Molecular Weight
527.49
Exact Mass
527.18
CAS #
1359164-11-6
PubChem CID
51035449
Appearance
Off-white to light brown solid powder
Density
1.4±0.1 g/cm3
Boiling Point
552.4±50.0 °C at 760 mmHg
Flash Point
287.9±30.1 °C
Vapour Pressure
0.0±1.6 mmHg at 25°C
Index of Refraction
1.545
LogP
4.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
6
Heavy Atom Count
37
Complexity
698
Defined Atom Stereocenter Count
0
SMILES
FC1=C(C2=CC=C(CN3CCN(CC4=CC=NC=C4)CC3)C=C2)C=CC(C(C(F)(F)F)(O)C(F)(F)F)=C1
InChi Key
KVHKWAZUPPBMLL-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
Chemical Name
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
Synonyms
SR2211SR 2211 SR-2211
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 Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~189.58 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.8958 mL 9.4789 mL 18.9577 mL
5 mM 0.3792 mL 1.8958 mL 3.7915 mL
10 mM 0.1896 mL 0.9479 mL 1.8958 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.

Calculator

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Biological Data
  • Demonstration of direct binding of SR2211 to RORγ Competition assay was performed to determine IC50 value of SR2211 in a SPA assay (A). Increasing concentrations of SR2211 were incubated with 5nM of [3H]-T1317 and 1ug of GSTRORγ along with Glutathione-YSi beads as detailed in Methods. The percent radioligand bound was calculated at various concentration of SR2211 after 20 hr of incubation. Ki value for SR2211 was calculated to be 105nM using graphpad prism software. Data shown are representative results from two independent experiments performed in triplicates. HDX perturbation results from SR2211 (right) and T1317 (middle) and digoxin (left) with RORγ (B). Negative perturbation values means that the exchange rate is slower for these regions within the protein in the ligand-bound protein.[1]. Kumar N, et al. Identification of SR2211: a potent synthetic RORγ-selective modulator. ACS Chem Biol. 2012 Apr 20;7(4):672-7.
  • Suppression of constitutive activity of RORγ by SR2211 293T cells were cotransfected with Gal4-RORa (A), Gal4-RORg (B), Gal4-LXRa (C), Gal4-FXR (D) or Gal4-VP16 (E) along with a UAS-luciferase plasmid. The cells were treated for 20 hr with indicated conc of SR2211 or postice controls SR3335 (A), T1317 (C) and GW4064 (D). Relative change was determined by normalizing to cells treated with vehicle. Each data point was performed in 6 replicates and represented as mean ±SEM, n = 6.[1]. Kumar N, et al. Identification of SR2211: a potent synthetic RORγ-selective modulator. ACS Chem Biol. 2012 Apr 20;7(4):672-7.
  • SR2211 modulates full length RORγ in reporter assays 293T cells were cotransfected with 5X RORE-luc and either empty vector (A) or RORγ (B); IL-17-Luc reporter and either RORα (C) or RORγ (D); ABCA1 luciferase and LXRα (E) followed by treatment with indicated concentration of SR2211 for 20 hr. The luciferase activity was measured. Relative change was determined by normalizing to vehicle treated cells. Each data point was measured in 4-6 replicates and presented as mean ±SEM.[1]. Kumar N, et al. Identification of SR2211: a potent synthetic RORγ-selective modulator. ACS Chem Biol. 2012 Apr 20;7(4):672-7.
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