Home Sulfos 2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester

2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester

CAS No.:
1014691-61-2
Catalog Number:
AG0004JA
Molecular Formula:
C19H18N2O5S2
Molecular Weight:
418.4866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
In Stock USA
United States
$125
- +
50mg
95%
In Stock USA
United States
$188
- +
100mg
95%
In Stock USA
United States
$262
- +
Product Description
Catalog Number:
AG0004JA
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester
CAS Number:
1014691-61-2
Molecular Formula:
C19H18N2O5S2
Molecular Weight:
418.4866
MDL Number:
MFCD12828770
IUPAC Name:
methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
InChI:
InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
InChI Key:
NDFKBGWLUHKMFY-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1OC)Nc1ccccc1
Properties
Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.066g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
418.482g/mol
Monoisotopic Mass:
418.066g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
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Peroxisome proliferator-activated receptor delta antagonists inhibit hepatitis C virus RNA replication. Bioorganic & medicinal chemistry letters 20130901
Isorhamnetin inhibits proliferation and invasion and induces apoptosis through the modulation of peroxisome proliferator-activated receptor γ activation pathway in gastric cancer. The Journal of biological chemistry 20121102
(Z)-2-(2-bromophenyl)-3-{[4-(1-methyl-piperazine)amino]phenyl}acrylonitrile (DG172): an orally bioavailable PPARβ/δ-selective ligand with inverse agonistic properties. Journal of medicinal chemistry 20120322
Development of improved PPARβ/δ inhibitors. ChemMedChem 20120102
Skin-targeted inhibition of PPAR β/δ by selective antagonists to treat PPAR β/δ-mediated psoriasis-like skin disease in vivo. PloS one 20120101
High-affinity peroxisome proliferator-activated receptor β/δ-specific ligands with pure antagonistic or inverse agonistic properties. Molecular pharmacology 20111101
Administration of PPARβ/δ agonist reduces copper-induced liver damage in mice: possible implications in clinical practice. Journal of clinical biochemistry and nutrition 20110701
Bezafibrate enhances proliferation and differentiation of osteoblastic MC3T3-E1 cells via AMPK and eNOS activation. Acta pharmacologica Sinica 20110501
The decreased expression of peroxisome proliferator-activated receptors delta (PPARdelta) is reversed by digoxin in the heart of diabetic rats. Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme 20100801
Evidence for the role of peroxisome proliferator-activated receptor-beta/delta in the development of spinal cord injury. The Journal of pharmacology and experimental therapeutics 20100501
Activation of peroxisome proliferator-activated receptor-{delta} by GW501516 prevents fatty acid-induced nuclear factor-{kappa}B activation and insulin resistance in skeletal muscle cells. Endocrinology 20100401
Identification and characterization of 4-chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide (GSK3787), a selective and irreversible peroxisome proliferator-activated receptor delta (PPARdelta) antagonist. Journal of medicinal chemistry 20100225
Endothelium-dependent vasodilator effects of peroxisome proliferator-activated receptor beta agonists via the phosphatidyl-inositol-3 kinase-Akt pathway. The Journal of pharmacology and experimental therapeutics 20100201
Identification and characterization of a selective peroxisome proliferator-activated receptor beta/delta (NR1C2) antagonist. Molecular endocrinology (Baltimore, Md.)
Properties