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120072-59-5 | 2H-1-Benzopyran-2-carboxylic acid, 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-
CAS No: 120072-59-5 Catalog No: AG000Q8S MDL No:
Product Description
Catalog Number:
AG000Q8S
Chemical Name:
2H-1-Benzopyran-2-carboxylic acid, 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-
CAS Number:
120072-59-5
Molecular Formula:
C28H36O7
Molecular Weight:
484.5812
IUPAC Name:
7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
InChI:
InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
InChI Key:
ZVVCSBSDFGYRCB-UHFFFAOYSA-N
SMILES:
CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.246g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.589g/mol
Monoisotopic Mass:
484.246g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| The central role of thromboxane and platelet activating factor receptors in ex vivo regulation of endotoxin-induced monocyte tissue factor activity in human whole blood. | Journal of endotoxin research 20020101 |
| 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 |
| Phorbol ester-induced dermal inflammation in mice: evaluation of inhibitors of 5-lipoxygenase and antagonists of leukotriene B4 receptor. | Journal of lipid mediators and cell signalling 19940901 |
| In vivo characterization of zymosan-induced mouse peritoneal inflammation. | The Journal of pharmacology and experimental therapeutics 19940601 |
| Pharmacological investigation of the role of leukotrienes in the pathogenesis of experimental NSAID gastropathy. | Inflammation 19920601 |
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