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(±)-ML 209 - ≥98%(HPLC), high purity , CAS No.1334526-14-5

COA COA
In stock
Item Number
M287706
Grouped product items
SKU Size
Availability
 Price Qty
M287706-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$122.90
M287706-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$189.90
M287706-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$425.90
M287706-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$794.90
M287706-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,429.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

RORγt inverse agonist; suppresses Th17cell differentiation

View related series
Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) ROR (47) ROR γ Reverse agonist (1) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms 3-(1,3-Benzodioxol-5-yl)-1-(cis-3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
Specifications & Purity Moligand™, ≥97%
Biochemical and Physiological Mechanisms RORγt inverse agonist (IC50= 460 nM). Suppresses Th17cell differentiation and IL17A expressionin vitro. Does not suppress transcription of RORα. Minimal activity displayed on ERα, LXRαand thyroid hormone receptors (IC50values >4.4μM).
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Phenols
Subclass Methoxyphenols
Intermediate Tree Nodes Not available
Direct Parent Methoxyphenols
Alternative Parents Dimethoxybenzenes  Benzodioxoles  N-acylpiperidines  Anisoles  Phenoxy compounds  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  Tertiary carboxylic acid amides  Oxacyclic compounds  Azacyclic compounds  Acetals  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organonitrogen compounds  Organopnictogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - N-acyl-piperidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors Not available

Associated Targets(Human)

RORC Tchem Nuclear receptor ROR-gamma (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRA Tclin Thyroid hormone receptor alpha (894 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESRRA Tchem Estrogen-related receptor alpha (573 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hr3 Probable nuclear hormone receptor HR3 (24 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 3-(1,3-benzodioxol-5-yl)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
INCHI 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?
InChIKey YEKVAIMYYCZDLI-MCPYQZEQSA-N
Smiles CC1CC(CN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C
Isomeric SMILES C[C@@H]1C[C@@H](CN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C
Molecular Weight 441.52
Reaxy-Rn 23188519
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23188519&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number Certificate Type Date Item
F2503434 Certificate of Analysis Nov 18, 2024 M287706
F2503436 Certificate of Analysis Nov 18, 2024 M287706
F2503472 Certificate of Analysis Nov 18, 2024 M287706
F2503473 Certificate of Analysis Nov 18, 2024 M287706
F2503474 Certificate of Analysis Nov 18, 2024 M287706
F2503491 Certificate of Analysis Nov 18, 2024 M287706
F2503492 Certificate of Analysis Nov 18, 2024 M287706
F2503435 Certificate of Analysis Nov 18, 2024 M287706
F2503490 Certificate of Analysis Nov 18, 2024 M287706

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 44.15, Max Conc. mM: 100
Molecular Weight 441.500 g/mol
XLogP3 4.200
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 441.215 Da
Monoisotopic Mass 441.215 Da
Topological Polar Surface Area 77.500 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 622.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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