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147776-06-5 | 2-Thiophenecarboxamide, N-[[4'-[[3-butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-3-methyl-
CAS No: 147776-06-5 Catalog No: AG001F6K MDL No:
Product Description
Catalog Number:
AG001F6K
Chemical Name:
2-Thiophenecarboxamide, N-[[4'-[[3-butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-3-methyl-
CAS Number:
147776-06-5
Molecular Formula:
C32H29F3N4O4S2
Molecular Weight:
654.7223
IUPAC Name:
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3-methylthiophene-2-carboxamide
InChI:
InChI=1S/C32H29F3N4O4S2/c1-3-4-13-28-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(28)20-22-14-16-23(17-15-22)24-9-5-8-12-27(24)45(42,43)37-30(40)29-21(2)18-19-44-29/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)
InChI Key:
MMDNKTXNUZFVKD-UHFFFAOYSA-N
SMILES:
CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1sccc1C)c1ccccc1C(F)(F)F
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.158g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
654.723g/mol
Monoisotopic Mass:
654.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| Role of hypoxia-inducible factor 1, α subunit and cAMP-response element binding protein 1 in synergistic release of interleukin 8 by prostaglandin E2 and nickel in lung fibroblasts. | American journal of respiratory cell and molecular biology 20130701 |
| Autocrine prostaglandin E2 signaling promotes tumor cell survival and proliferation in childhood neuroblastoma. | PloS one 20120101 |
| Lubiprostone targets prostanoid EP₄ receptors in ovine airways. | British journal of pharmacology 20110101 |
| The role of PGE2 receptor EP4 in pathologic ocular angiogenesis. | Investigative ophthalmology & visual science 20091101 |
| Prostaglandin E2 glycerol ester, an endogenous COX-2 metabolite of 2-arachidonoylglycerol, induces hyperalgesia and modulates NFkappaB activity. | British journal of pharmacology 20080401 |
| Renal sympathetic nerve activity modulates afferent renal nerve activity by PGE2-dependent activation of alpha1- and alpha2-adrenoceptors on renal sensory nerve fibers. | American journal of physiology. Regulatory, integrative and comparative physiology 20071001 |
| The EP4 receptor antagonist, L-161,982, blocks prostaglandin E2-induced signal transduction and cell proliferation in HCA-7 colon cancer cells. | Experimental cell research 20070815 |
| Prostaglandin E(2) protects human lung fibroblasts from cigarette smoke extract-induced apoptosis via EP(2) receptor activation. | Journal of cellular physiology 20070101 |
| Prostaglandin E2 promotes cell survival of glomerular epithelial cells via the EP4 receptor. | American journal of physiology. Renal physiology 20060601 |
| Role of periaqueductal grey prostaglandin receptors in formalin-induced hyperalgesia. | European journal of pharmacology 20060113 |
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