1-OLEOYL-2-ACETYL-SN-GLYCEROL CAS#: 86390-77-4; 凯望编码 (ChemWhat Code): 1214983
Identification
| 英文名 | 1-OLEOYL-2-ACETYL-SN-GLYCEROL |
| IUPAC Name | [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate |
| 分子结构 |  |
| CAS编号 | 86390-77-4 |
| MDL Number | MFCD00166985 |
| 别名 | 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 |
| 分子式 | C23H42O5 |
| 分子量 | 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)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
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 | |
| 分子量 | 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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认证生产商 | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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| Watson International Limited | 访问Watson官网 |
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