ML109

ML-109, also known as CID-25246343, is a potent and full thyroid stimulating hormone receptor (TSHR) agonist. ML109 (CID-25246343) is the first selective and orally available small-molecule TSHR agonist, and the probe will be a useful pharmacological tool to study TSHR biology in thyroidal and extrathyroidal tissues.

Product information

CAS Number: 1186649-91-1

Molecular Weight: 523.58

Formula: C31H29N3O5

Synonym:

CID-25246343

ML-109

ML 109

ML109

CID 25246343

CID25246343

Chemical Name: N-(4-((5-(3-benzyl-5-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxybenzyl)oxy)phenyl)acetamide

Smiles: CC(=O)NC1C=CC(=CC=1)OCC1=CC(=CC=C1OC)C1NC2=CC=CC(O)=C2C(=O)N1CC1C=CC=CC=1

InChiKey: JRVXFGNCHKHBPA-UHFFFAOYSA-N

InChi: InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)

Technical Data

Appearance: Solid Power.

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined.

HS Tariff Code: 382200

How to use

In Vitro:

ML-109 (Compound 2) is a full agonist at TSHR with an EC50 of 40 nM and, like compound 1, it has no activity at FSHR or LHCGR. ML-109 contains an aminal, a functional group that is subject to hydrolysis and/or other degradation mechanisms. ML-109 is surprisingly stable at neutral and basic conditions (t1/2 of ~16 h) but is found to degrade at low pH (t1/2 of ~3 h).

References:

1. Titus S, Huang W, Marugan J, et al. Identification of Potent and Selective Thyroid Stimulating Hormone Receptor Agonists. In: Probe Reports from the NIH Molecular Libraries Program. Bethesda (MD): National Center for Biotechnology Information (US); 2010.

Products are for research use only. Not for human use.