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THRβ receptor agonist-2

CAT: 0931-T211110-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211110-01Size:10 mg
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CAS Number
2411677-11-5
Target
Thyroid hormone receptor (THR)
Related Pathways
Endocrinology/Hormones
Bioactivity
THRβ receptor agonist-2 (Example 7-4) is a THRβ receptor agonist that can be utilized in research related to liver diseases or cardiometabolic disorders.
Smiles
O=C1ON=C(N1)C(=O)NC2=CC(Cl)=C(OC3=NN(C(=O)C(=C3)C(C)C)C)C(Cl)=C2
Molecular Formula
C17H15Cl2N5O5
Molecular Weight
440.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CAS Number2411677-11-5
PubChem CID146402726
IUPAC NameN-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
Molecular FormulaC17H15Cl2N5O5
Molecular Weight440.2
XLogP2.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity800
SMILES
CC(C)C1=CC(=NN(C1=O)C)OC2=C(C=C(C=C2Cl)NC(=O)C3=NOC(=O)N3)Cl
InChI
InChI=1S/C17H15Cl2N5O5/c1-7(2)9-6-12(22-24(3)16(9)26)28-13-10(18)4-8(5-11(13)19)20-15(25)14-21-17(27)29-23-14/h4-7H,1-3H3,(H,20,25)(H,21,23,27)
InChIKey
WFIWVDVCNWOMQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CAS: 2411677-11-5
CID: 146402726
Formula: C17H15Cl2N5O5
MW: 440.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.2
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass439.0450240
Monoisotopic Mass439.0450240
Topological Polar Surface Area122 Ų
Heavy Atom Count29
Formal Charge0
Complexity800
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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Alternative Products

CatalogName
GTR19264124-01THRβ receptor agonist-2
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SP-101381-5Biotin-Kinase Domain of Insulin Receptor (2) (AA: Biotin-Thr-Arg-Asp-Ile-pTyr-Glu-Thr-Asp-Tyr-Tyr-Arg-Lys) (MW: 19297)
SP-101391-1Platelet-Derived Growth Factor Receptor Substrate 2 (AA: Ser-Val-Leu-pTyr-Thr-Ala-Val-Gln-Pro-Asn-Glu) (MW: 1300.36)
HY-143613-01THR-β agonist 2
HY-143613ATHR-β agonist 2 (diacetate)
GTR19258067-01THR-β agonist 2 diacetate
MBS5805276THR-beta agonist 2
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