1-OLEOYL-2-ACETYL-SN-GLYCEROL CAS#: 86390-77-4; ChemWhat Code: 1214983
Identification
| Product Name | 1-OLEOYL-2-ACETYL-SN-GLYCEROL |
| IUPAC Name | [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate |
| Molecular Structure |  |
| CAS Registry Number | 86390-77-4 |
| MDL Number | MFCD00166985 |
| Synonyms | 3-Pyridinamin;3-Pyridinamine;3-Pyridinamine;pyridin-3-amine;T6NJ CZ;3- Aminopyridine;3-Amino-pyridine;3-pyridylamine;Amino-3 pyridine;m-1-Oleoyl-2-acetyl-sn-glycerol 86390-77-4 Oleoylacetylglycerol 1-Oleyl-2-acetylglycerol 1-oleoyl-2-acetyl-glycerol oleyl acetyl glycerol 1-O-Octadecenoyl-2-O-acetylglycerol 2-Acetyl-1-oleoyl-sn-glycerol sn-1-Oleoyl-2-acetylglycerol (2S)-2-acetyloxy-3-hydroxypropyl-octadec-9-enoate 1-oleoyl-2-acetylglycerol 1-O-9Z-Octadecenoyl-2-O-acetyl-sn-glycerol 9-Octadecenoic acid (Z)-, 2-(acetyloxy)-3-hydroxypropyl ester, (S)- 9-Octadecenoic acid (9Z)-, (2S)-2-(acetyloxy)-3-hydroxypropyl ester 1-Oleoyl-2-acetyl-sn-glycerol (OAG) OAG 1-Oleoyl-2-acetyl-rac-glycerol BSPBio_001403 1-Olein-2-acetyl-sn-glycerol BML2-F08 |
| Molecular Formula | C23H42O5 |
| Molecular Weight | 398.6 |
| InChI | InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10-/t22-/m0/s1 |
| InChI Key | PWTCCMJTPHCGMS-YRBAHSOBSA-N |
| Canonical SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| EP334586 | Carbohydrate lactam derivatives and their use in cosmetic compositions | 1989 |
Physical Data
| Appearance | Colorless to slightly yellow oily liquid |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | ||
| Chemical shifts | 1H | chloroform-d1 | 400 |
| Chemical shifts | 13C | chloroform-d1 | 100 |
| Chemical shifts | 13C | CDCl3 | 100 |
| Chemical shifts | 1H | CDCl3 | 400 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With pyridine; methanol In tetrahydrofuran at 20℃; for 3h; | 100% |
| With pyridine In tetrahydrofuran; methanol at 20℃; for 3h; | 100% |
| With pyridine; methanol In tetrahydrofuran at 20℃; for 2h; | 100% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Source: European Chemicals Agency (ECHA)
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License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database
Other Data
| Transportation | Store at -20℃ and away from light. |
| HS Code | |
| Storage | Store at -20℃ and away from light. |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 398.583 |
| logP | 7.872 |
| HBA | 5 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 72.83 |
| Rotatable Bond (RotB) | 21 |
| Matching Veber Rules | 1 |
| Quantitative Results | ||
| 1 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Carbohydrate lactam derivatives and their use in cosmetic compositions | |
| 2 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Design, synthesis, and structure-activity relationship of new isobenzofuranone ligands of protein kinase C | |
| 3 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | A role for protein kinase C in the regulation of membrane fluidity and Ca2+ flux at the endoplasmic reticulum and plasma membranes of HEK293 and Jurkat cells | |
| 4 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Establishment of a binding assay for protein kinase C isozymes using synthetic C1 peptides and development of new medicinal leads with protein kinase C isozyme and C1 domain selectivity | |
| 5 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Inhibition by gangliosides GM3, GD3 and GT1b of substrate phosphorylation by protein kinase C in bovine mammary gland and its reversal by phosphatidylserine | |
| 6 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | NK cells respond to haptens by the activation of calcium permeable plasma membrane channels | |
| 7 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Coupling between the TRPC3 ion channel and the NCX1 transporter contributed to VEGF-induced ERK1/2 activation and angiogenesis in human primary endothelial cells | |
| 8 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Reduced membrane cholesterol after chronic hypoxia limits Orai1-mediated pulmonary endothelial Ca2+ entry | |
| 9 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Transient receptor potential channels in cardiac health and disease | |
| 10 of 47 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Beyond the CRAC: Diversification of ion signaling in B cells |
| Use Pattern |
| 1-Oleoyl-2-acetyl-sn-glycerol is used in detection, identification and characterization of interactions between ligands and their corresponding glycoprotein target receptors on living cells and in biological fluids. |
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Approved Manufacturers | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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