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ML224

CAT: 0013-GTR19204435-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204435-01Size:1 mg
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Description
ML224 (NCGC00242364) is a small molecule antagonist of the thyroid-stimulating hormone receptor (TSHR) . It is a research tool for investigating Graves' disease pathologies, including hyperthyroidism and orbitopathy, with demonstrated activity in both in vitro assays and in vivo animal models.
CAS Number
1338824-21-7
Product Name Alternative
ANTAG 3, ANTAG3, ANTAG-3, ML224, ML-224, ML 224, NCGC 00242364, NCGC00242364, NCGC-00242364, thyrotropin receptor (TSHR), TSH Receptor, TSHReceptor
Field of Research
Pharmacology & Drug Discovery
Purity
99.14% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.28 mM) ; DMSO:80 mg/mL (152.21 mM)
Smiles
COc1ccc (cc1COc1c (C) cc (NC (C) =O) cc1C) C1Nc2ccccc2C (=O) N1Cc1ccco1
Molecular Formula
C31H31N3O5
Molecular Weight
525.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide

N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide is a member of quinazolines.

CAS Number1338824-21-7
PubChem CID50897809
IUPAC NameN-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
Molecular FormulaC31H31N3O5
Molecular Weight525.6
XLogP4.7
Topological Polar Surface Area93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity829
SMILES
CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)C)NC(=O)C
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)
InChIKey
BFTSWGYWHRJVNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
CAS: 1338824-21-7
CID: 50897809
Formula: C31H31N3O5
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass525.22637110
Monoisotopic Mass525.22637110
Topological Polar Surface Area93 Ų
Heavy Atom Count39
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-12381-01ML224
A21633-10ML224 10mg
A21633-5ML224 5mg
A21633-1ML224 1mg
A21633-100ML224 100mg
A21633-50ML224 50mg
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