ML109

Cas：1186649-91-1

Product Information：

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

Synonym: 

ML-109

ML 109

ML109

CID-25246343

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

InChi Key:

JRVXFGNCHKHBPA-UHFFFAOYSA-N

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)

Smiles Code:

CC(NC1=CC=C(OCC2=CC(C(N3CC4=CC=CC=C4)NC5=C(C(O)=CC=C5)C3=O)=CC=C2OC)C=C1)=O

Technical Data：

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

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.