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ALG-055009

CAT: 0931-T200538-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200538-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2542029-03-6
Target
Thyroid hormone receptor (THR)
Related Pathways
Endocrinology/Hormones
Bioactivity
ALG-055009, a thyroid hormone receptor β (THR-β) agonist, exhibits an EC50 of 0.063 μM. It has been shown to reduce total cholesterol levels in rats fed a high-fat diet. ALG-055009 is used in the study of fatty liver diseases associated with metabolic dysfunction.
Smiles
O=C1NC(=O)N(N=C1N)C2=CC(Cl)=C(OC3=NNC(=O)C(=C3)C(C)C)C(Cl)=C2
Molecular Formula
C16H14Cl2N6O4
Molecular Weight
425.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CAS Number2542029-03-6
PubChem CID71025419
IUPAC Name6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
Molecular FormulaC16H14Cl2N6O4
Molecular Weight425.2
XLogP1.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity784
SMILES
CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)N)Cl
InChI
InChI=1S/C16H14Cl2N6O4/c1-6(2)8-5-11(21-22-14(8)25)28-12-9(17)3-7(4-10(12)18)24-16(27)20-15(26)13(19)23-24/h3-6H,1-2H3,(H2,19,23)(H,22,25)(H,20,26,27)
InChIKey
YZZBNKVFMULQCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-amino-2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CAS: 2542029-03-6
CID: 71025419
Formula: C16H14Cl2N6O4
MW: 425.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.2
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass424.0453583
Monoisotopic Mass424.0453583
Topological Polar Surface Area138 Ų
Heavy Atom Count28
Formal Charge0
Complexity784
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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