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Sobetirome

CAT: 0804-HY-14823-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14823-01Size:5 mg
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Description
Sobetirome (GC-1) is a thyroid hormone receptor β (TRβ) -specific agonist which bind selectively to TRβ-1 with an EC50 of 0.16 μM[1].
CAS Number
211110-63-3
Product Name Alternative
GC-1; QRX-431
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Thyroid Hormone Receptor
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Sobetirome.html
Purity
99.91
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)COC1=CC(C)=C(CC2=CC=C(O)C(C(C)C)=C2)C(C)=C1
Molecular Formula
C20H24O4
Molecular Weight
328.40
Precautions
H302, H315, H319, H335
References & Citations
[1]Gierach I, et al. Bacterial biosensors for screening isoform-selective ligands for human thyroid receptors α-1 and β-1. FEBS Open Bio. 2012 Aug 15;2:247-53.|[2]Johansson L, et al. Selective thyroid receptor modulation by GC-1 reduces serum lipids and stimulates steps of reverse cholesterol transport in euthyroid mice. Proc Natl Acad Sci U S A. 2005 Jul 19;102 (29) :10297-302.|[3]Villicev CM, et al. Thyroid hormone receptor beta-specific agonist GC-1 increases energy expenditure and prevents fat-mass accumulation in rats. J Endocrinol. 2007 Apr;193 (1) :21-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Sobetirome

Sobetirome is a diarylmethane.

CAS Number211110-63-3
PubChem CID9862248
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Molecular FormulaC20H24O4
Molecular Weight328.4
XLogP4.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity396
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O
InChI
InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChIKey
QNAZTOHXCZPOSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sobetirome
CAS: 211110-63-3
CID: 9862248
Formula: C20H24O4
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass328.16745924
Monoisotopic Mass328.16745924
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T5313-01Sobetirome
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A15241-25Sobetirome 25mg
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A15241-10Sobetirome 10mg
A15241-1Sobetirome 1mg
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