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ST247

CAT: 0013-GTR19186286-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186286-01Size:25 mg
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Description
ST247 is a high-affinity PPARβ/δ inverse agonist that potently suppresses agonist-induced transcriptional activity and promotes co-repressor binding. It is a valuable research tool for studying PPARβ/δ function in metabolic and inflammatory pathways, applicable in both cellular and animal models.
CAS Number
1356497-91-0
Field of Research
Metabolism Research, Molecular Biology
Smiles
S (NC1=C (OC) C=C (NCCCCCC) C=C1) (=O) (=O) C2=C (C (OC) =O) SC=C2
Molecular Formula
C19H26N2O5S2
Molecular Weight
426.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl 3-(N-(4-(hexylamino)-2-methoxyphenyl)sulfamoyl)thiophene-2-carboxylate

a PPAR beta/delta inverse agonist; structure in first source

CAS Number1356497-91-0
PubChem CID71114651
IUPAC Namemethyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
Molecular FormulaC19H26N2O5S2
Molecular Weight426.6
XLogP4.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity581
SMILES
CCCCCCNC1=CC(=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)OC)OC
InChI
InChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-14-8-9-15(16(13-14)25-2)21-28(23,24)17-10-12-27-18(17)19(22)26-3/h8-10,12-13,20-21H,4-7,11H2,1-3H3
InChIKey
MRWCGEOYGFZZCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 3-(N-(4-(hexylamino)-2-methoxyphenyl)sulfamoyl)thiophene-2-carboxylate
CAS: 1356497-91-0
CID: 71114651
Formula: C19H26N2O5S2
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass426.12831428
Monoisotopic Mass426.12831428
Topological Polar Surface Area130 Ų
Heavy Atom Count28
Formal Charge0
Complexity581
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

Alternative Products

CatalogName
T62321-01ST247
217691PPAR-beta/delta Inverse Agonist (Methyl 3- (N- (4- (hexylamino) -2-methoxyphenyl) sulfamoyl) thiophene-2-carboxylate, ST247)

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