ML224 - CAS 1338824-21-7

ML224(NCGC00242364; ANTAG3) is a selective TSHR inverse agonist; inhibits TSH-stimulated cAMP production with an IC50 = 2.3 μM.
IC50 value: 2.3 uM [1]
Target: TSHR agonist
in vitro: ANTAG3 was selective for TSHR inhibition; half-maximal inhibitory doses were 2.1 μM for TSHR and greater than 30 μM for LH and FSH receptors [2].
in vivo: In mice treated with TRH, ANTAG3 lowered serum free T4 by 44% and lowered mRNAs for sodium-iodide cotransporter and thyroperoxidase by 75% and 83%, respectively. In mice given M22, ANTAG3 lowered serum free T4 by 38% and lowered mRNAs for sodium-iodide cotransporter and thyroperoxidase by 73% and 40%, respectively [2].

Catalog Number: I001297

CAS Number: 1338824-21-7

PubChem Substance ID:355181789

Molecular Formula: C31H31N3O5

Molecular Weight:525.605

Purity: ≥95%

* For research use only. Not for human or veterinary use.


Property

Molecular Formula: C31H31N3O5
Molecular Weight525.605
Target:TSH Receptor
Solubility10 mM in DMSO
Purity≥95%
StorageStore at -20°C
IC502.3 uM [1]

Computed Descriptor

IUPAC NameN-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
InChIInChI=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)
InChIKeyBFTSWGYWHRJVNI-UHFFFAOYSA-N
SMILESCC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)C)NC(=O)C