MedKoo Cat#: 574375 | Name: ML-209
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML-209 is an antagonist of retinoic acid receptor-related orphan receptor γt (RORγt; IC50 = 1.1 µM in a reporter assay).

Chemical Structure

ML-209
ML-209
CAS#1334526-14-5

Theoretical Analysis

MedKoo Cat#: 574375

Name: ML-209

CAS#: 1334526-14-5

Chemical Formula: C25H31NO6

Exact Mass: 441.2151

Molecular Weight: 441.52

Elemental Analysis: C, 68.01; H, 7.08; N, 3.17; O, 21.74

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
1g USD 4,650.00 2 Weeks
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Related CAS #
No Data
Synonym
ML-209; Rac-ML-209; (±)-ML-209, (±)-ML209, (±)-ML 209; SR9805, SR 9805; SR9805;
IUPAC/Chemical Name
3-(1,3-Benzodioxol-5-yl)-1-(cis-3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
InChi Key
YEKVAIMYYCZDLI-MCPYQZEQSA-N
InChi Code
InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15-,16+,19?
SMILES Code
O=C(N1C[C@H](C)C[C@H](C)C1)CC(C2=CC=C(OCO3)C3=C2)C4=C(OC)C=C(OC)C=C4O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

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 the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Huang et al (2010) Identification of Potent and Selective RORγ Antagonists. Probe Reports from the NIH Molecular Libraries Program PMID: 23658948 2. Huang et al (2015) DDX5 and its associated lncRNA Rmrp modulate TH17 cell effector functions. Nature 528 517 PMID: 26675721 3. Kojetin et al (2014) REV-ERB and ROR nuclear receptors as drug targets. Nat.Rev.Drug Discov. 13 197 PMID: 24577401 4. 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