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15(S)-HPETE, also known as 15-Hydroperoxyeicosatetraenoic acid, is a monohydroperoxy polyunsaturated fatty acid (PUFA) that is produced by the action of 15-lipoxygenase (15-LO) on arachidonic acid. It plays a crucial role in mediating various biological functions and has potential applications in different industries.

70981-96-3

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70981-96-3 Usage

Uses

Used in Pharmaceutical Industry:
15(S)-HPETE is used as a bioactive compound for its ability to inhibit arachidonic acid-induced platelet aggregation. This property makes it a potential candidate for the development of anti-inflammatory and antithrombotic drugs, which can help in the treatment of various cardiovascular and inflammatory disorders.
Used in Research Applications:
15(S)-HPETE is used as a research tool for studying the role of eicosanoids and their metabolic pathways in various biological processes. It helps researchers understand the mechanisms of action of different enzymes and their regulation, which can contribute to the discovery of new therapeutic targets and drug development.
Used in Biochemical Analysis:
15(S)-HPETE is used as a biochemical marker for monitoring the activity of 15-lipoxygenase (15-LO) and other related enzymes. Its measurement can provide valuable insights into the regulation of lipid metabolism and the involvement of eicosanoids in various physiological and pathological conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 70981-96-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,9,8 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 70981-96:
(7*7)+(6*0)+(5*9)+(4*8)+(3*1)+(2*9)+(1*6)=153
153 % 10 = 3
So 70981-96-3 is a valid CAS Registry Number.
InChI:InChI=1/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8+,11-9-,17-14-/t19-/m0/s1

70981-96-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 15(S)-HPETE

1.2 Other means of identification

Product number -
Other names (5Z,8Z,11Z,13E,15S)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:70981-96-3 SDS

70981-96-3Relevant academic research and scientific papers

Hydroperoxy-arachidonic acid mediated n-hexanal and (Z)-3- and (E)-2-nonenal formation in Laminaria angustata

Boonprab, Kangsadan,Matsui, Kenji,Akakabe, Yoshihiko,Yotsukura, Norishige,Kajiwara, Tadahiko

, p. 669 - 678 (2003)

In higher plants, C6 and C9 aldehydes are formed from C18 fatty acids, such as linoleic or linolenic acid, through formation of 13- and 9-hydroperoxides, followed by their stereospecific cleavage by fatty acid hydroperoxide lyases (HPL). Some marine algae can also form C6 and C9 aldehydes, but their precise biosynthetic pathway has not been elucidated fully. In this study, we show that Laminaria angustata, a brown alga, formed C6 and C9 aldehydes enzymatically. The alga forms C9 aldehydes exclusively from the C20 fatty acid, arachidonic acid, while C6 aldehydes are derived either from C18 or from C20 fatty acid. The intermediates in the biosynthetic pathway were trapped by using a glutathione/glutathione peroxidase system, and subjected to structural analyses. Formation of (S)-12-, and (S)-15-hydroperoxy arachidonic acids [12(S)HPETE and 15(S)HPETE] from arachidonic acid was confirmed by chiral HPLC analyses. These account respectively for C9 aldehyde and C6 aldehyde formation, respectively. The HPL that catalyzes formation of C9 aldehydes from 12(S)HPETE seems highly specific for hydroperoxides of C20 fatty acids.

The hydroperoxide moiety of aliphatic lipid hydroperoxides is not affected by hypochlorous acid

Zschaler, Josefin,Arnhold, Juergen

, p. 42 - 51 (2015/01/09)

The oxidation of polyunsaturated fatty acids to the corresponding hydroperoxide by plant and animal lipoxygenases is an important step for the generation of bioactive lipid mediators. Thereby fatty acid hydroperoxide represent a common intermediate, also in human innate immune cells, like neutrophil granulocytes. In these cells a further key component is the heme protein myeloperoxidase producing HOCl as a reactive oxidant. On the basis of different investigation a reaction of the fatty acid hydroperoxide and hypochlorous acid (HOCl) could be assumed. Here, chromatographic and spectrometric analysis revealed that the hydroperoxide moiety of 15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid (15-HpETE) and 13S-hydroperoxy-9Z,11E-octadecadienoic acid (13-HpODE) is not affected by HOCl. No reduction of the hydroperoxide group due to a reaction with HOCl could be measured. It could be demonstrated that the double bonds of the fatty acid hydroperoxides are the major target of HOCl, present either as reagent or formed by the myeloperoxidase-hydrogen peroxide-chloride system.

Manufacture of (5Z,8Z,11Z,13E)(15S)-15-hydroxyeicosa-5,8,11,13-tetraenoic acid sodium salt for clinical trials

Harrison, Paul,Jackson, Mark,Jones, Shaun,Kronig, Christel,Lennon, Ian C.,Simmonds, Shaun,Conrow, Raymond E.

experimental part, p. 301 - 304 (2011/09/20)

A robust synthesis of (5Z,8Z,11Z,13E)(15S)-15-hydroxyeicosa-5,8,11,13- tetraenoic acid (15(S)-HETE) sodium salt was established, utilising a biooxidation process. Treatment of arachidonic acid with soybean lipoxidase in 0.1 M sodium tetraborate buffer under oxygen pressure resulted in formation of the hydroperoxide, 15(S)-HPETE. Addition of sodium borohydride to the reaction mixture reduced the hydroperoxide to 15(S)-HETE, which was then purified by column chromatography. 15(S)-HETE sodium salt was prepared by treatment of an ethanol solution of HETE with aqueous sodium hydrogen carbonate. Multiple 10-g batches of 15(S)-HETE sodium salt with >98% enantiomeric excess and >98% chemical purity were prepared to support clinical trials.

Formation of a cyclopropyl epoxide via a leukotriene A synthase-related pathway in an anaerobic reaction of soybean lipoxygenase-1 with 15S-hydroperoxyeicosatetraenoic acid: Evidence that oxygen access is a determinant of secondary reactions with fatty acid hydroperoxides

Zheng, Yuxiang,Brash, Alan R.

experimental part, p. 13427 - 13436 (2011/03/22)

The further conversion of an arachidonic acid hydroperoxide to a leukotriene A (LTA) type epoxide by specific lipoxygenase (LOX) enzymes constitutes a key step in inflammatory mediator biosynthesis. Whereas mammalian 5-LOX transforms its primary product (5S-hydroperoxyeicosatetraenoic acid; 5S-HPETE) almost exclusively to LTA4, the model enzyme, soybean LOX-1, normally produces no detectable leukotrienes and instead further oxygenates its primary product 15S-HPETE to 5,15- and 8,15-dihydroperoxides. Mammalian 15-LOX-1 displays both types of activity. We reasoned that availability of molecular oxygen within the LOX active site favors oxygenation, whereas lack of O2 promotes LTA epoxide synthesis. To test this, we reacted 15S-HPETE with soybean LOX-1 under anaerobic conditions and identified the products by high pressure liquid chromatography, UV, mass spectrometry, and NMR. Among the products, we identified a pair of 8,15-dihydroxy diastereomers with all-trans-conjugated trienes that incorporated 18O from H 218O at C-8, indicative of the formation of 14,15-LTA4. A pair of 5,15-dihydroxy diastereomers containing two trans,trans-conjugated dienes (6E,8E,11E,13E) and that incorporated 18O from H 218O at C-5 was deduced to arise from hydrolysis of a novel epoxide containing a cyclopropyl ring, 14,15-epoxy-[9,10,11-cyclopropyl]- eicosa-5Z,7E,13E-trienoic acid. Also identified was the δ-lactone of the 5,15-diol, a derivative that exhibited no 18O incorporation due to its formation by intramolecular reaction of the carboxyl anion with the proposed epoxide intermediate. Our results support a model in which access to molecular oxygen within the active site directs the outcome from competing pathways in the secondary reactions of lipoxygenases.

Synthesis of 11-thialinoleic acid and 14-thialinoleic acid, inhibitors of soybean and human lipoxygenases

Jacquot, Cyril,McGinley, Chris M.,Plata, Erik,Holman, Theodore R.,Van Der Donk, Wilfred A.

supporting information; experimental part, p. 4242 - 4252 (2009/02/07)

Lipoxygenases catalyse the oxidation of polyunsaturated fatty acids and have been invoked in many diseases including cancer, atherosclerosis and Alzheimer's disease. Currently, no X-ray structures are available with substrate or substrate analogues bound

Coordination (ag+) ion spray - Mass spectrometry of peroxidation products of cholesterol linoleate and cholesterol arachidonate: High-performance liquid chromatography - Mass spectrometry analysis of peroxide products from polyunsaturated lipid autoxidation

Havrilla, Christine M.,Hachey, David L.,Porter, Ned A.

, p. 8042 - 8055 (2007/10/03)

Lipid peroxidation of polyunsaturated fatty acids and esters leads to a complex mixture of hydroperoxides and cyclic peroxides, some of which possess potent biological activity. These product mixtures contain dozens of diastereomers and regioisomers. The technique of coordination ion spray - mass spectrometry (CIS - MS), recently reported by Bayer and collaborators, proves to be a powerful tool for the analysis of complex peroxide mixtures. Silver ion forms readily detected Ag+ adducts of peroxides and hydroperoxides. These ions, observed at [M+ 107] and [M+ 109], undergo fragmentation typical of hydroperoxides, and cyclic peroxides. Thus, Hock fragmentation is observed from many of the silver ion adducts of hydroperoxides and cyclic peroxides undergo fragmentation to give aldehydes and epoxides. Silver ion coordination ion spray - mass spectrometry (Ag+CIS - MS) can be coupled to normal-phase high-performance liquid chromatography (HPLC) by postcolumn addition of AgBF4, allowing the use of powerful techniques such as selected ion monitoring and selected reaction monitoring. This coupling permits, for the first time, the combination of powerful normal-phase separation techniques with detection methods that provide unambiguous structural information of complex peroxide compounds.

Synthesis of hydroperoxide and perketal derivatives of polyunsaturated fatty acids as potential antimalarial agents

Pitt, Michael J.,Easton, Christopher J.,Robertson, Thomas A.,Kumaratilake, Lakshmi M.,Ferrante, Antonio,Poulos, Alfred,Rathjen, Deborah A.

, p. 4401 - 4404 (2007/10/03)

Hydroperoxide derivatives of β-oxa-substituted polyunsaturated fatty acids were prepared by 15-1ipoxygenase catalysed oxidation and perketal derivatives of fatty acid hydroperoxides were synthesized. The perketals are more stable than their parent fatty acid hydroperoxides, but less active as antimalarial agents in the in vitro growth inhibition of Plasmodium falciparum.

9-Hydroxy-10,12-octadecadienoic acid (9-HODE) and 13-hydroxy-9,11-octadecadienoic acid (13-HODE): Excellent markers for lipid peroxidation

Spiteller, Peter,Spiteller, Gerhard

, p. 131 - 139 (2007/10/03)

Various conditions for conversion of (9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoic acid (9S-HPODE) and (13S,9Z,10E)-13-hydroperoxy-9,11-octadecadienoic acid (13S-HPODE) into the corresponding hydroxy acids, (9S,10E,12Z)-9-hydroxy-10,12-octadecadienoic acid (9S-HODE) and (13S,9Z,10E)-13-hydroxy-9,11-octadecadienoic acid (13S-HODE), were investigated in vitro. 9S-HODE and 13S-HODE were subjected to lipid peroxidation under various conditions: oxidation was carried out in air only, and in air/Fe2+/ascorbate, air/H2O2/Fe2+, air/Fe2+, and air/Fe3+. In contrast to the corresponding hydroperoxides (9S-HPODE and 13S-HPODE), 9-HODE and 13-HODE proved to be stable in all these oxidation experiments. Unexpectedly, hydroxy compounds obtained by reduction of hydroperoxides derived from arachidonic acid were not attacked by air/Fe2+/ascorbate or air/Fe2+. Thus, for instance, (15S,5Z,8Z,11Z,13E)-15-hydroxy-5,8,11,13-eicosatetraenoic acid (15-HETE) remained unchanged in spite of possessing the structural prerequisites for attack by radicals, i.e. a CH2-group located between two double bonds. Consequently, metal-induced air oxidation reactions of these systems seem to be restricted to hydroperoxides of unsaturated acids (LOOH) and not to corresponding hydroxy compounds (LOH). The reported experiments explain why hydroxy derivatives of unsaturated acids, especially 9-HODE and 13-HODE, are enriched in naturally occurring lipid peroxidation (LPO) processes to a greater extent than any other LPO product and why they are nearly ideal markers for LPO.

A chemoenzymatic approach to hydroperoxyeicosatetraenoic acids. Total synthesis of 5(S)-HPETE

Dussault,Lee

, p. 218 - 226 (2007/10/02)

A new synthetic approach to enantiomerically pure hydroperoxyeicosatetraenoic acids (HPETEs) is described in which the tetraene skeleton is assembled through chemoselective olefination of a protected hydroperoxy aldehyde. Soybean lipoxygenase-mediated dioxygenation of both natural and unnatural fats produces hydroperoxy dienes in high enantiomeric excess; the observed regioselectivity supports a revised hypothesis for substrate specificity. Protection of the diene hydroperoxides as peroxy ketals is followed by regioselective ozonolysis to afford enantiomerically pure 4-peroxy 2,3-enals which undergo olefination to produce peroxytetraenoates. Removal of the monoperoxy ketal and the methyl ester affords enantiomerically pure HPETEs. The generality of the strategy is illustrated with the first chemical synthesis of 5(S)-HPETE.

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