Physicochemical Properties
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.28 |
| Exact Mass | 241.131 |
| CAS # | 147795-39-9 |
| PubChem CID | 127293 |
| Appearance | White to off-white solid powder |
| Density | 1.12g/cm3 |
| Boiling Point | 490.1ºC at 760mmHg |
| Melting Point | 96-97 ºC (ethyl acetate ) |
| Flash Point | 250.2ºC |
| Vapour Pressure | 9.41E-10mmHg at 25°C |
| Index of Refraction | 1.484 |
| LogP | 1.738 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 17 |
| Complexity | 301 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |
| InChi Key | FXCMGCFNLNFLSH-JTQLQIEISA-N |
| InChi Code | InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1 |
| Chemical Name | 3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Pretreatment with 10 μM N-3-Oxo-octanoyl-L-homoserine lactone (3OC8-HSL) for two days significantly inhibits the growth of pathogens in leaves[1]. N-3-Oxo-octanoyl -L-homoserine lactone-treated plants exhibit elevated activity of defense-related enzymes, such as superoxide dismutase, catalase, phenylalanine ammonialyase, and peroxidase[1]. |
| References |
[1]. N-3-oxo-octanoyl-homoserine lactone-mediated priming of resistance to Pseudomonas syringae requires the salicylic acid signaling pathway in Arabidopsis thaliana. BMC Plant Biol. 2020 Jan 28;20(1):38. [2]. Genetic control of quorum-sensing signal turnover in Agrobacterium tumefaciens. Proc Natl Acad Sci U S A. |
| Additional Infomation | 3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide has been reported in Azospirillum lipoferum with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (414.46 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.36 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (10.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1446 mL | 20.7228 mL | 41.4456 mL | |
| 5 mM | 0.8289 mL | 4.1446 mL | 8.2891 mL | |
| 10 mM | 0.4145 mL | 2.0723 mL | 4.1446 mL |