Products for Research Use Only
RegisterLogin

THR-β agonist 8

CAT: 0804-HY-171013Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-171013Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
THR-β agonist 8 (Compound 1) is an orally active agonist of TRα and TRβ. THR-β agonist 8 is promising for research of thyroid hormone-related diseases[1].
CAS Number
2832859-77-3
UNSPSC
12352005
Target
Thyroid Hormone Receptor
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/thr-β-agonist-8.html
Smiles
N#CC1=NN(C2=CC(Cl)=C(C(Cl)=C2)OC3=CC=C(C(C(C)=C)=C3)O)C(NC1=O)=O
Molecular Formula
C19H12Cl2N4O4
Molecular Weight
431.23
References & Citations
[1]Sheng XK, et al. Aromatic compound, preparation method therefor, and application thereof. WO2022184177A1. 2022 September 09.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

THR-|A agonist 8
CAS Number2832859-77-3
PubChem CID164913308
IUPAC Name2-[3,5-dichloro-4-(4-hydroxy-3-prop-1-en-2-ylphenoxy)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Molecular FormulaC19H12Cl2N4O4
Molecular Weight431.2
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity767
SMILES
CC(=C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)Cl)O
InChI
InChI=1S/C19H12Cl2N4O4/c1-9(2)12-7-11(3-4-16(12)26)29-17-13(20)5-10(6-14(17)21)25-19(28)23-18(27)15(8-22)24-25/h3-7,26H,1H2,2H3,(H,23,27,28)
InChIKey
HZGZVQBKOVZCBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of THR-|A agonist 8
CAS: 2832859-77-3
CID: 164913308
Formula: C19H12Cl2N4O4
MW: 431.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.2
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass430.0235603
Monoisotopic Mass430.0235603
Topological Polar Surface Area115 Ų
Heavy Atom Count29
Formal Charge0
Complexity767
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

Related Products

CatalogName
HY-143613-01THR-β agonist 2
HY-143614THR-β agonist 3
HY-160266THR-β agonist 7
HY-174887THR-β agonist 9
HY-147055-01THR-β agonist 5
HY-178015THR-β agonist 11
HY-142917THR-β agonist 4
HY-175676THR-β agonist 10
HY-142441-01THR-β agonist 1
HY-149218THR-β agonist 6

Alternative Products

CatalogName
GTR19220930-01THR-β agonist 6
T62570-01THR-β agonist 1
T62594-01THR-β agonist 2
T61759THR-β agonist 5
GTR19184931-01THR-β agonist 3
GTR19241222-01THR-β agonist 8
T210706-01THR-β agonist 9
GTR19273151-01THR-β agonist 10
T63515-01THR-β agonist 4
GTR19273097-01THR-β agonist 11

Popular Products