ML109 HCl | CAS#1186649-91-1

MedKoo Cat#: 533176 | Name: ML109 HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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: 523.2107

Molecular Weight: 560.05

Elemental Analysis: C, 66.48; H, 5.40; Cl, 6.33; N, 7.50; O, 14.28

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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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 Key

SMECVQFEVJWBOV-CZCBIWLKSA-N

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

Instruction

View handling instruction

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.