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Gsk3787

CAS No.:
188591-46-0
Catalog Number:
AG002H14
Molecular Formula:
C15H12ClF3N2O3S
Molecular Weight:
392.7806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥95%
1 week
United States
$136
- +
10mg
≥95%
1 week
United States
$200
- +
25mg
≥95%
1 week
United States
$373
- +
50mg
≥95%
1 week
United States
$611
- +
Product Description
Catalog Number:
AG002H14
Chemical Name:
Gsk3787
CAS Number:
188591-46-0
Molecular Formula:
C15H12ClF3N2O3S
Molecular Weight:
392.7806
MDL Number:
MFCD00099612
IUPAC Name:
4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
InChI:
InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
InChI Key:
JFUIMTGOQCQTPF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
557  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.021g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
392.777g/mol
Monoisotopic Mass:
392.021g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
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
Cellular and pharmacological selectivity of the peroxisome proliferator-activated receptor-beta/delta antagonist GSK3787. Molecular pharmacology 20100901
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
Properties