Home Amines 1014691-61-2
1014691-61-2,MFCD12828770
Catalog No.:AA0004GI
1014691-61-2 | 2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester
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  • Technical Information
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Technical Information
Catalog Number:
AA0004GI
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
Computed 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  

Synonyms
 
GSK0660 
GSK0660 
C19H18N2O5S2 
3-(((2-Methoxy-4-(phenylamino)phenyl)amino]sulfonyl)-2-thiophenecarboxylic acid methyl ester 
2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester 
3-[[[2-METHOXY-4-(PHENYLAMINO)PHENYL]AMINO]SULFONYL]-2-THIOPHENECARBOXYLIC ACID METHYL ESTER 
2-Thiophenecarboxylic acid, 3-(((2-methoxy-4-(phenylamino)phenyl)amino)sulfonyl)-, methyl ester 
GTPL3441 
SCHEMBL14970321 
CHEBI:94813 
CTK3J9817 
AOB2503 
1014691-61-2 
DTXSID10673163 
EX-A768 
QCR-147 
HMS3677N06 
BCP07112 
BDBM50383373 
ZINC43277624 
AKOS024457626 
GSK 0660 GSK 0660 
AM81226 
GSK 0660 
CS-5416 
GSK-0660 (GSK0660) 
KS-00000T44 
NCGC00370882-01 
AK174339 
HY-12377 
AB0095025 
GSK0660, >=98% (HPLC) 
RT-017399 
B7406 
GSK-0660 
Y0452 
A12392 
S-7666 
J-000397 
BRD-K98684188-001-01-1 
methyl 3-[(4-anilino-2-methoxy-phenyl)sulfamoyl]thiophene-2-carboxylate 
2-?Thiophenecarboxylic acid, 3-?[[[2-?methoxy-?4-?(phenylamino)?phenyl]?amino]?sulfonyl]?-?, methyl ester 
D06VBQ 
NDFKBGWLUHKMFY-UHFFFAOYSA-N 
C529769 
CHEMBL592652 
3-([(2-METHOXY-4-(PHENYLAMINO)PHENYL)AMINO]SULFONYL)-2-THIOPHENECARBOXYLIC ACID METHYL ESTER 
methyl 3-(N-(2-methoxy-4-(phenylamino)phenyl)sulfamoyl)thiophene-2-carboxylate 
MFCD12828770 
3-[[[2-Methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-2-thiophenecarboxylicacidmethylester 
methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate 
Literature

Title: Perfluorooctanoate suppresses spheroid attachment on endometrial epithelial cells through peroxisome proliferator-activated receptor alpha and down-regulation of Wnt signaling.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20131201

Title: Peroxisome proliferator-activated receptor delta antagonists inhibit hepatitis C virus RNA replication.

Journal: Bioorganic & medicinal chemistry letters 20130901

Title: Isorhamnetin inhibits proliferation and invasion and induces apoptosis through the modulation of peroxisome proliferator-activated receptor γ activation pathway in gastric cancer.

Journal: The Journal of biological chemistry 20121102

Title: (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: Journal of medicinal chemistry 20120322

Title: Development of improved PPARβ/δ inhibitors.

Journal: ChemMedChem 20120102

Title: Skin-targeted inhibition of PPAR β/δ by selective antagonists to treat PPAR β/δ-mediated psoriasis-like skin disease in vivo.

Journal: PloS one 20120101

Title: High-affinity peroxisome proliferator-activated receptor β/δ-specific ligands with pure antagonistic or inverse agonistic properties.

Journal: Molecular pharmacology 20111101

Title: Administration of PPARβ/δ agonist reduces copper-induced liver damage in mice: possible implications in clinical practice.

Journal: Journal of clinical biochemistry and nutrition 20110701

Title: Bezafibrate enhances proliferation and differentiation of osteoblastic MC3T3-E1 cells via AMPK and eNOS activation.

Journal: Acta pharmacologica Sinica 20110501

Title: The decreased expression of peroxisome proliferator-activated receptors delta (PPARdelta) is reversed by digoxin in the heart of diabetic rats.

Journal: Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme 20100801

Title: Evidence for the role of peroxisome proliferator-activated receptor-beta/delta in the development of spinal cord injury.

Journal: The Journal of pharmacology and experimental therapeutics 20100501

Title: 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.

Journal: Endocrinology 20100401

Title: 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: Journal of medicinal chemistry 20100225

Title: Endothelium-dependent vasodilator effects of peroxisome proliferator-activated receptor beta agonists via the phosphatidyl-inositol-3 kinase-Akt pathway.

Journal: The Journal of pharmacology and experimental therapeutics 20100201

Title: Identification and characterization of a selective peroxisome proliferator-activated receptor beta/delta (NR1C2) antagonist.

Journal: Molecular endocrinology (Baltimore, Md.)

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