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310869-68-2 | 1,2,4-Oxadiazol-5(2H)-one, 3-[[4-(tetradecyloxy)phenyl]methyl]-
CAS No: 310869-68-2 Catalog No: AG003234 MDL No:
Product Description
Catalog Number:
AG003234
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-[[4-(tetradecyloxy)phenyl]methyl]-
CAS Number:
310869-68-2
Molecular Formula:
C23H36N2O3
Molecular Weight:
388.5435
IUPAC Name:
3-[(4-tetradecoxyphenyl)methyl]-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C23H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-21-16-14-20(15-17-21)19-22-24-23(26)28-25-22/h14-17H,2-13,18-19H2,1H3,(H,24,25,26)
InChI Key:
ANLYQPBTEGWYHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1ccc(cc1)Cc1[nH]oc(=O)n1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.273g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.552g/mol
Monoisotopic Mass:
388.273g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
Literature
| Title | Journal |
|---|---|
| In vitro study of the PLA2 inhibition and antioxidant activities of Aloe vera leaf skin extracts. | Lipids in health and disease 20110101 |
| Transglutaminase 2, a novel regulator of eicosanoid production in asthma revealed by genome-wide expression profiling of distinct asthma phenotypes. | PloS one 20100101 |
| Design of group IIA secreted/synovial phospholipase A(2) inhibitors: an oxadiazolone derivative suppresses chondrocyte prostaglandin E(2) secretion. | PloS one 20100101 |
| Inhibition of secreted phospholipase A2. 4-glycerol derivatives of 4,5-dihydro-3-(4-tetradecyloxybenzyl)-1,2,4-4H-oxadiazol-5-one with broad activities. | Journal of medicinal chemistry 20070405 |
| Inhibition of secretory phospholipase A2. 1-design, synthesis and structure-activity relationship studies starting from 4-tetradecyloxybenzamidine to obtain specific inhibitors of group II sPLA2s. | European journal of medicinal chemistry 20050901 |
| Inhibition of secretory phospholipase A2. 2-Synthesis and structure-activity relationship studies of 4,5-dihydro-3-(4-tetradecyloxybenzyl)-1,2,4-4H-oxadiazol-5-one (PMS1062) derivatives specific for group II enzyme. | Bioorganic & medicinal chemistry 20050315 |
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