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(±)-ML 209

Cat. No. 5987 Submit a Review Datasheet / COA / SDS
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Cat.No. 5987 - (±)-ML 209 | C25H31NO6 | CAS No. 1334526-14-5
Description: RORγt inverse agonist; suppresses Th17 cell differentiation
Chemical Name: 3-(1,3-Benzodioxol-5-yl)-1-(cis-3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
Purity: ≥98% (HPLC)
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Biological Activity Technical Data Solubility Calculators Datasheets References

Biological Activity

RORγt inverse agonist (IC50 = 460 nM). Suppresses Th17 cell differentiation and IL17A expression in vitro. Does not suppress transcription of RORα. Minimal activity displayed on ERα, LXRα and thyroid hormone receptors (IC50 values >4.4 μM).

Technical Data

M. Wt 441.52
Formula C25H31NO6
Storage Store at -20°C
Purity ≥98% (HPLC)
CAS Number 1334526-14-5
PubChem ID 53385590
InChI Key YEKVAIMYYCZDLI-MCPYQZEQSA-N
Smiles COC1=CC(OC)=C(C(O)=C1)C(C2=CC=C3OCOC3=C2)CC(N4C[C@@H](C[C@@H](C4)C)C)=O

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

All Tocris products are intended for laboratory research use only.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 44.15 100

Preparing Stock Solutions

The following data is based on the product molecular weight 441.52. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 2.26 mL 11.32 mL 22.65 mL
5 mM 0.45 mL 2.26 mL 4.53 mL
10 mM 0.23 mL 1.13 mL 2.26 mL
50 mM 0.05 mL 0.23 mL 0.45 mL

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References

References are publications that support the biological activity of the product.

Huang et al (2010) Identification of Potent and Selective RORγ Antagonists. Probe Reports from the NIH Molecular Libraries Program PMID: 23658948

Huang et al (2015) DDX5 and its associated lncRNA Rmrp modulate TH17 cell effector functions. Nature 528 517 PMID: 26675721

Kojetin et al (2014) REV-ERB and ROR nuclear receptors as drug targets. Nat.Rev.Drug Discov. 13 197 PMID: 24577401

Wang et al (2014) Discovery of novel N-(5-(arylcarbonyl)thiazol-2-yl)amides and N-(5-(arylcarbonyl)thiophen-2-yl)amides as potent RORγt inhibitors. Bioorg.Med.Chem. 22 692 PMID: 24388993

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