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.
Chemical Formula: C31H29N3O5
Exact Mass: 523.2107
Molecular Weight: 523.589
Elemental Analysis: C, 71.11; H, 5.58; N, 8.03; O, 15.28
Chemical Name: N-(4-((5-(3-benzyl-5-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxybenzyl)oxy)phenyl)acetamide
InChi Code: 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)
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
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).
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.
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