ML109 HCl

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MedKoo CAT#: 533176

CAS#: ML109 HCl

Description: ML-109, also known as CID-25246343 and (S)-(+)-NCGC00161870, is a potent and full thyroid stimulating hormone receptor (TSHR) agonist. ML109 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 Structure

ML109 HCl
CAS# ML109 HCl

Theoretical Analysis

MedKoo Cat#: 533176
Name: ML109 HCl
CAS#: ML109 HCl
Chemical Formula: C31H30ClN3O5
Exact Mass: 523.21
Molecular Weight: 560.047
Elemental Analysis: C, 66.48; H, 5.40; Cl, 6.33; N, 7.50; O, 14.28

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

Related CAS #: ML109 HCl   1186649-91-1 (free base)    

Synonym: ML109 HCl; ML-109; ML 109; ML109; CID-25246343; CID 25246343; CID25246343; (S)-(+)-NCGC00161870; NCGC-00161870; NCGC 00161870;

IUPAC/Chemical Name: (S)-N-(4-((5-(3-Benzyl-5-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxybenzyl)oxy)phenyl)acetamide hydrochloride


InChi Code: InChI=1S/C31H29N3O5.ClH/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);1H/t30-;/m0./s1

SMILES Code: CC(NC1=CC=C(OCC2=CC([C@H](N3CC4=CC=CC=C4)NC5=C(C(O)=CC=C5)C3=O)=CC=C2OC)C=C1)=O.[H]Cl

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 560.05 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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