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ML224

CAT: 0804-HY-12381-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12381-02Size:10 mM - 1 mL
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Description
ML224 (NCGC00242364) is a selective TSHR antagonist with an IC50 value of 2.1 µM. ML224 can be used in the study of Graves' disease and other thyroid disorders.
CAS Number
1338824-21-7
Product Name Alternative
NCGC00242364; ANTAG3
UNSPSC
12352005
Target
TSH Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/ML224.html
Concentration
10mM
Purity
99.18
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(NC1=CC(C)=C(OCC2=CC(C(N3CC4=CC=CO4)NC5=C(C=CC=C5)C3=O)=CC=C2OC)C(C)=C1)=O
Molecular Formula
C31H31N3O5
Molecular Weight
525.59
References & Citations
[1]Neumann S, et al. A selective TSH receptor antagonist inhibits stimulation of thyroid function in female mice. Endocrinology. 2014 Jan;155 (1) :310-4.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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

CatalogName
C04464ML224
A21633-100ML224 100mg
A21633-50ML224 50mg
A21633-25ML224 25mg
A21633-10ML224 10mg
A21633-5ML224 5mg
A21633-1ML224 1mg
MBS130656-01ML224(NCGC00242364; ANTAG3)
A21633-10mM-DML224 10mM * 1mL in DMSO

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