Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H32O2.C6H14N2O2 |
| Molecular Weight | 474.6758 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 6 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCCC[C@H](N)C(O)=O.CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
InChI
InChIKey=ORVWBOYNBFMSRG-WPQVCBABSA-N
InChI=1S/C22H32O2.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;7-4-2-1-3-5(8)6(9)10/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);5H,1-4,7-8H2,(H,9,10)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;/t;5-/m.0/s1
| Molecular Formula | C22H32O2 |
| Molecular Weight | 328.4883 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 6 |
| Optical Activity | NONE |
| Molecular Formula | C6H14N2O2 |
| Molecular Weight | 146.1876 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: description was created based on several sources, including
https://www.hsph.harvard.edu/nutritionsource/omega-3-fats/ |
https://www.ncbi.nlm.nih.gov/pubmed/24352849 |
https://www.fda.gov/Cosmetics/ProductsIngredients/Products/ucm134064.htm
Curator's Comment: description was created based on several sources, including
https://www.hsph.harvard.edu/nutritionsource/omega-3-fats/ |
https://www.ncbi.nlm.nih.gov/pubmed/24352849 |
https://www.fda.gov/Cosmetics/ProductsIngredients/Products/ucm134064.htm
Doconexent (Docosahexaenoic acid, DHA) is an omega-3 fatty acid that is a primary structural component of the human brain, cerebral cortex, skin, and retina. DHA is widely used as a food supplement, and is beleived to support healthy brain development in young childred, prevent cardiovascular disease and cognitive decline during Alzheimer's disease. Most of these claims, however, were not supported by clinical trials. DHA spray is used as a tanner.
CNS Activity
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2095229 |
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Target ID: map04064 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Preventing | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Palliative | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| [Separation of eicosapentaenoic acid ethyl ester and docosahexaenoic acid ethyl ester by simulated moving bed chromatography]. | 2018-09-08 |
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| Double-blind, randomized, multicenter phase 2 study of SC411 in children with sickle cell disease (SCOT trial). | 2018-08-14 |
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| Uptake and tissue accretion of orally administered free carboxylic acid as compared to ethyl ester form of docosahexaenoic acid (DHA) in the rat. | 2018 |
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| The hydroxylated form of docosahexaenoic acid (DHA-H) modifies the brain lipid composition in a model of Alzheimer's disease, improving behavioral motor function and survival. | 2017-09 |
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| Bioequivalence Demonstration for Ω-3 Acid Ethyl Ester Formulations: Rationale for Modification of Current Guidance. | 2017-03 |
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| Kinetics of docosahexaenoic acid ethyl ester accumulation in dog plasma and brain. | 2016-10 |
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| Highly Cross-Linked Epoxy Nanofiltration Membranes for the Separation of Organic Chemicals and Fish Oil Ethyl Esters. | 2016-09-14 |
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| Safety of docosahexaenoic acid (DHA) administered as DHA ethyl ester in a 9-month toxicity study in dogs. | 2016-06 |
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| New therapy using omega-3-Acid ethyl esters for decubitus ulcers and stasis dermatitis: a case report. | 2014-12 |
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| Omega-3 polyunsaturated fatty acids and cardiovascular disease: an emphasis on omega-3-acid ethyl esters 90 for the treatment of hypertriglyceridemia. | 2014-11 |
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| Four-year placebo-controlled trial of docosahexaenoic acid in X-linked retinitis pigmentosa (DHAX trial): a randomized clinical trial. | 2014-07 |
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| TRPA1 is a polyunsaturated fatty acid sensor in mammals. | 2012 |
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| Mechanism of docosahexaenoic acid-induced inhibition of in vitro Abeta1-42 fibrillation and Abeta1-42-induced toxicity in SH-S5Y5 cells. | 2009-10 |
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| Rainbow trout (Oncorhynchus mykiss) brain cells biosynthesize novel docosahexaenoic acid-derived resolvins and protectins-Mediator lipidomic analysis. | 2005-12 |
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| Differential modulation of the glutamate transporters GLT1, GLAST and EAAC1 by docosahexaenoic acid. | 2005-03-10 |
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| Free fatty acids regulate gut incretin glucagon-like peptide-1 secretion through GPR120. | 2005-01 |
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| Effects of hyperglycemia and hypercapnia on lipid metabolism during complete brain ischemia. | 2004-12-24 |
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| Omega-3 status and cerebrospinal fluid corticotrophin releasing hormone in perpetrators of domestic violence. | 2004-12-01 |
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| Protective effects of dietary enrichment with docosahexaenoic acid plus protein in 5-fluorouracil-induced intestinal injury in the rat. | 2004-05 |
|
| The orphan G protein-coupled receptor GPR40 is activated by medium and long chain fatty acids. | 2003-03-28 |
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| Free fatty acids regulate insulin secretion from pancreatic beta cells through GPR40. | 2003-03-13 |
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| Effects of purified eicosapentaenoic acid and docosahexaenoic acid on platelet, fibrinolytic and vascular function in hypertensive type 2 diabetic patients. | 2003-01 |
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| Phytanic acid and docosahexaenoic acid increase the metabolism of all-trans-retinoic acid and CYP26 gene expression in intestinal cells. | 2001-10-31 |
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| Is there a relation between docosahexaenoic acid concentration in mothers' milk and visual development in term infants? | 2001-03 |
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| Polyunsaturated fatty acids in the food chain in Europe. | 2000-01 |
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| Peroxisome proliferator-activated receptors: nuclear control of metabolism. | 1999-10 |
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| Low plasma levels of docosahexaenoic acid in patients with liver cirrhosis and its correction with a polyunsaturated fatty acid-enriched soft oil capsule. | 1999-04 |
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| Maternal plasma homocysteine, placenta status and docosahexaenoic acid concentration in erythrocyte phospholipids of the newborn. | 1999-03 |
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| Evidence for the unique function of docosahexaenoic acid during the evolution of the modern hominid brain. | 1999 |
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| Differential distribution and metabolism of arachidonic acid and docosahexaenoic acid by human placental choriocarcinoma (BeWo) cells. | 1998-08 |
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| Human plasma albumin transports [13C]docosahexaenoic acid in two lipid forms to blood cells. | 1997-08 |
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| Nutrition and cognitive function. | 1997-04 |
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| Hydrolysis of phosphatidylethanolamine by human pancreatic phospholipase A2. Effect of bile salts. | 1994-02 |
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| Severe deficiency of docosahexaenoic acid in peroxisomal disorders: a defect of delta 4 desaturation? | 1990-08 |
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| Discovery of novel brain lipoxygenase products formed from docosahexaenoic acid (22:6w3). | 1988 |
Patents
Sample Use Guides
Doconexent is administered with food or as an oral supplement, or topically with food.
Route of Administration:
Other
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:54:49 GMT 2025
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on
Wed Apr 02 18:54:49 GMT 2025
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| Record UNII |
4RSC9PF5VC
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| Record Status |
Validated (UNII)
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| Record Version |
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4RSC9PF5VC
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admin on Wed Apr 02 18:54:49 GMT 2025 , Edited by admin on Wed Apr 02 18:54:49 GMT 2025
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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