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Home > Fluorides > 161172-51-6
161172-51-6 | Benzoic acid, 2-[3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]-
CAS No: 161172-51-6 Catalog No: AG001S8A MDL No:MFCD11977723
Product Description
Catalog Number:
AG001S8A
Chemical Name:
Benzoic acid, 2-[3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]-
CAS Number:
161172-51-6
Molecular Formula:
C33H33FO6
Molecular Weight:
544.6099
MDL Number:
MFCD11977723
IUPAC Name:
2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
InChI:
InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)
InChI Key:
YFIZRWPXUYFCSN-UHFFFAOYSA-N
SMILES:
CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O
UNII:
THY6RIW44R
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.226g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
544.619g/mol
Monoisotopic Mass:
544.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
Literature
| Title | Journal |
|---|---|
| 5-lipoxygenase: underappreciated role of a pro-inflammatory enzyme in tumorigenesis. | Frontiers in pharmacology 20100101 |
| Randomized double-blind phase II trial comparing gemcitabine plus LY293111 versus gemcitabine plus placebo in advanced adenocarcinoma of the pancreas. | Cancer journal (Sudbury, Mass.) 20090101 |
| The Role of PPARgamma Receptors and Leukotriene B(4) Receptors in Mediating the Effects of LY293111 in Pancreatic Cancer. | PPAR research 20080101 |
| A phase I study of oral LY293111 given daily in combination with irinotecan in patients with solid tumours. | Investigational new drugs 20070601 |
| Leukotriene B4 receptor inhibitor LY293111 induces cell cycle arrest and apoptosis in human anaplastic large-cell lymphoma cells via JNK phosphorylation. | Leukemia 20051101 |
| LTB4 stimulates growth of human pancreatic cancer cells via MAPK and PI-3 kinase pathways. | Biochemical and biophysical research communications 20050930 |
| A novel anti-pancreatic cancer agent, LY293111. | Anti-cancer drugs 20050601 |
| LY293111 improves efficacy of gemcitabine therapy on pancreatic cancer in a fluorescent orthotopic model in athymic mice. | Neoplasia (New York, N.Y.) 20050401 |
| Studies of synergistic and antagonistic combinations of conventional cytotoxic agents with the multiple eicosanoid pathway modulator LY 293111. | Anti-cancer drugs 20041001 |
| Effect of LY293111 in combination with gemcitabine in colonic cancer. | Cancer letters 20040708 |
| Chemotaxis and activation of human peripheral blood eosinophils induced by pollen-associated lipid mediators. | The Journal of allergy and clinical immunology 20040601 |
| Preclinical characterization of 2-[3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]benzoic acid metabolism: in vitro species comparison and in vivo disposition in rats. | Drug metabolism and disposition: the biological fate of chemicals 20031101 |
| Inhibition of antigen-induced arthritis in guinea pigs by a selective LTB4 receptor antagonist LY293111Na. | Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20021101 |
| In vitro and in vivo pharmacological characterization of BIIL 284, a novel and potent leukotriene B(4) receptor antagonist. | The Journal of pharmacology and experimental therapeutics 20010401 |
| Effects of leukotriene B4 receptor antagonist, LY293111Na, on antigen-induced bronchial hyperresponsiveness and leukocyte infiltration in sensitized guinea pigs. | Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20010301 |
| Pharmacologic actions of the second-generation leukotriene B4 receptor antagonist LY293111: in vitro studies. | The Journal of pharmacology and experimental therapeutics 19990101 |
| Synthetic and structure/activity studies on acid-substituted 2-arylphenols: discovery of 2-[2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5- hydroxyphenoxy]-propoxy]phenoxy]benzoic acid, a high-affinity leukotriene B4 receptor antagonist. | Journal of medicinal chemistry 19951027 |
| Blockade of human neutrophil activation by 2-[2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5- hydroxyphenoxy]propoxy]phenoxy]benzoic acid (LY293111), a novel leukotriene B4 receptor antagonist. | Biochemical pharmacology 19950526 |
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