ML224

ML224, also known as NCGC00242364 and ANTAG3, is a selective TSHR inverse agonist; inhibits TSH-stimulated cAMP production with an IC50 = 2.3 μM. ML224 could be a useful tool for studying TSHR functions; it could also be a potential lead for development of drugs to treat TSHR-mediated hyperthyroidism caused by constitutively activating mutations or stimulating auto-antibodies associated with Graves’ disease.

Product information

CAS Number: 1338824-21-7

Molecular Weight: 525.59

Formula: C31H31N3O5

Synonym:

ML-224

NCGC-00242364

ANTAG-3

ML224

ML 224

NCGC00242364

NCGC 00242364

ANTAG3

ANTAG 3

Chemical Name: N-(4-((5-(3-(furan-2-ylmethyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxybenzyl)oxy)-3,5-dimethylphenyl)acetamide

Smiles: COC1=CC=C(C=C1COC1=C(C)C=C(C=C1C)NC(C)=O)C1NC2=CC=CC=C2C(=O)N1CC1=CC=CO1

InChiKey: BFTSWGYWHRJVNI-UHFFFAOYSA-N

InChi: InChI=1S/C31H31N3O5/c1-19-14-24(32-21(3)35)15-20(2)29(19)39-18-23-16-22(11-12-28(23)37-4)30-33-27-10-6-5-9-26(27)31(36)34(30)17-25-8-7-13-38-25/h5-16,30,33H,17-18H2,1-4H3,(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

References:

1. Huang W, et al. Identification of Thyroid Stimulating Hormone Receptor Inverse Agonists. Probe Reports from the NIH Molecular Libraries Program
2. Neumann S, et al. A selective TSH receptor antagonist inhibits stimulation of thyroid function in female mice. Endocrinology. 2014 Jan;155(1):310-4.

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