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ChemicalBook--->CAS DataBase List--->1186649-91-1

1186649-91-1

1186649-91-1 Structure

1186649-91-1 Structure
IdentificationBack Directory
[Name]

ML-109
[CAS]

1186649-91-1
[Synonyms]

ML-109
N-[4-[[2-Methoxy-5-[1,2,3,4-tetrahydro-5-hydroxy-4-oxo-3-(phenylmethyl)-2-quinazolinyl]phenyl]methoxy]phenyl]acetamide
Acetamide, N-[4-[[2-methoxy-5-[1,2,3,4-tetrahydro-5-hydroxy-4-oxo-3-(phenylmethyl)-2-quinazolinyl]phenyl]methoxy]phenyl]-
[Molecular Formula]

C31H29N3O5
[MDL Number]

MFCD31746908
[MOL File]

1186649-91-1.mol
[Molecular Weight]

523.58
Chemical PropertiesBack Directory
[Boiling point ]

810.1±65.0 °C(Predicted)
[density ]

1.300±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:83.0(Max Conc. mg/mL);158.5(Max Conc. mM)
[form ]

Solid
[pka]

8.66±0.40(Predicted)
[color ]

White to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

ML-109 is a potent and full thyroid stimulating hormone receptor (TSHR) agonist, with an EC50 of 40 nM.
[Definition]

ChEBI: N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide is a member of quinazolines.
[References]

[1] Neumann S, et al. Small-molecule agonists for the thyrotropin receptor stimulate thyroid function in human thyrocytes and mice. Proc Natl Acad Sci U S A. 2009 Jul 28;106(30):12471-6. DOI:10.1073/pnas.0904506106
Spectrum DetailBack Directory
[Spectrum Detail]

ML-109(1186649-91-1)1HNMR
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