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 | C6H14N2O2 |
| Molecular Weight | 146.1876 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
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 |
|---|---|---|
| Severe deficiency of docosahexaenoic acid in peroxisomal disorders: a defect of delta 4 desaturation? | 1990 Aug |
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| Nutrition and cognitive function. | 1997 Apr |
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| Human plasma albumin transports [13C]docosahexaenoic acid in two lipid forms to blood cells. | 1997 Aug |
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| Differential distribution and metabolism of arachidonic acid and docosahexaenoic acid by human placental choriocarcinoma (BeWo) cells. | 1998 Aug |
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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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| Low plasma levels of docosahexaenoic acid in patients with liver cirrhosis and its correction with a polyunsaturated fatty acid-enriched soft oil capsule. | 1999 Apr |
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| Maternal plasma homocysteine, placenta status and docosahexaenoic acid concentration in erythrocyte phospholipids of the newborn. | 1999 Mar |
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| Peroxisome proliferator-activated receptors: nuclear control of metabolism. | 1999 Oct |
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| Polyunsaturated fatty acids in the food chain in Europe. | 2000 Jan |
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| Is there a relation between docosahexaenoic acid concentration in mothers' milk and visual development in term infants? | 2001 Mar |
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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 Oct 31 |
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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 Jan |
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| Free fatty acids regulate insulin secretion from pancreatic beta cells through GPR40. | 2003 Mar 13 |
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| The orphan G protein-coupled receptor GPR40 is activated by medium and long chain fatty acids. | 2003 Mar 28 |
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| Omega-3 status and cerebrospinal fluid corticotrophin releasing hormone in perpetrators of domestic violence. | 2004 Dec 1 |
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| Effects of hyperglycemia and hypercapnia on lipid metabolism during complete brain ischemia. | 2004 Dec 24 |
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| Protective effects of dietary enrichment with docosahexaenoic acid plus protein in 5-fluorouracil-induced intestinal injury in the rat. | 2004 May |
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| Rainbow trout (Oncorhynchus mykiss) brain cells biosynthesize novel docosahexaenoic acid-derived resolvins and protectins-Mediator lipidomic analysis. | 2005 Dec |
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| Free fatty acids regulate gut incretin glucagon-like peptide-1 secretion through GPR120. | 2005 Jan |
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| TRPA1 is a polyunsaturated fatty acid sensor in mammals. | 2012 |
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| New therapy using omega-3-Acid ethyl esters for decubitus ulcers and stasis dermatitis: a case report. | 2014 Dec |
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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 Nov |
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| Safety of docosahexaenoic acid (DHA) administered as DHA ethyl ester in a 9-month toxicity study in dogs. | 2016 Jun |
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| Kinetics of docosahexaenoic acid ethyl ester accumulation in dog plasma and brain. | 2016 Oct |
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| Highly Cross-Linked Epoxy Nanofiltration Membranes for the Separation of Organic Chemicals and Fish Oil Ethyl Esters. | 2016 Sep 14 |
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| Bioequivalence Demonstration for Ω-3 Acid Ethyl Ester Formulations: Rationale for Modification of Current Guidance. | 2017 Mar |
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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 Sep |
|
| Uptake and tissue accretion of orally administered free carboxylic acid as compared to ethyl ester form of docosahexaenoic acid (DHA) in the rat. | 2018 |
|
| Double-blind, randomized, multicenter phase 2 study of SC411 in children with sickle cell disease (SCOT trial). | 2018 Aug 14 |
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| [Separation of eicosapentaenoic acid ethyl ester and docosahexaenoic acid ethyl ester by simulated moving bed chromatography]. | 2018 Sep 8 |
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
Sat Dec 16 20:19:00 GMT 2023
by
admin
on
Sat Dec 16 20:19:00 GMT 2023
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| Record UNII |
4RSC9PF5VC
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| Record Status |
Validated (UNII)
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171228-62-9
Created by
admin on Sat Dec 16 20:19:00 GMT 2023 , Edited by admin on Sat Dec 16 20:19:00 GMT 2023
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4RSC9PF5VC
Created by
admin on Sat Dec 16 20:19:00 GMT 2023 , Edited by admin on Sat Dec 16 20:19:00 GMT 2023
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