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ML-109

CAT: 0804-HY-114116-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-114116-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-109 is a potent and full thyroid stimulating hormone receptor (TSHR) agonist, with an EC50 of 40 nM.
CAS Number
1186649-91-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
TSH Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/ML-109.html
Purity
99.02
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
CC(NC1=CC=C(OCC2=CC(C(N3CC4=CC=CC=C4)NC5=C(C(O)=CC=C5)C3=O)=CC=C2OC)C=C1)=O
Molecular Formula
C31H29N3O5
Molecular Weight
523.58
Precautions
H302, H315, H319, H335
References & Citations
[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.
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-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide

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

CAS Number1186649-91-1
PubChem CID25246343
IUPAC NameN-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
Molecular FormulaC31H29N3O5
Molecular Weight523.6
XLogP5.1
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity812
SMILES
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3NC4=C(C(=CC=C4)O)C(=O)N3CC5=CC=CC=C5)OC
InChI
InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)
InChIKey
JRVXFGNCHKHBPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CAS: 1186649-91-1
CID: 25246343
Formula: C31H29N3O5
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass523.21072103
Monoisotopic Mass523.21072103
Topological Polar Surface Area100 Ų
Heavy Atom Count39
Formal Charge0
Complexity812
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
BA5827-5.1ML-109
A18922-10ML-109 10mg
A18922-5ML-109 5mg
A18922-1ML-109 1mg
A18922-25ML-109 25mg
A18922-2ML-109 2mg
A18922-100ML-109 100mg
A18922-50ML-109 50mg
BNUM0355-50CD20 (109-3C2), 1mg/mL
A18922-10mM-DML-109 10mM * 1mL in DMSO

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