Physicochemical Properties
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.19372 |
| Exact Mass | 171.089 |
| CAS # | 67605-85-0 |
| Related CAS # | N-Butanoyl-DL-homoserine lactone;98426-48-3;N-butyryl-L-Homoserine lactone-d5;2701379-46-4 |
| PubChem CID | 10130163 |
| Appearance | White to off-white solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 428.1±34.0 °C at 760 mmHg |
| Flash Point | 212.7±25.7 °C |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.476 |
| LogP | -1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 12 |
| Complexity | 191 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CCCC(=O)N[C@H]1CCOC1=O |
| InChi Key | VFFNZZXXTGXBOG-LURJTMIESA-N |
| InChi Code | InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1 |
| Chemical Name | N-[(3S)-2-oxooxolan-3-yl]butanamide |
| 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 | The aptamer binding to n-butyrolyl-L-homose acid lactone (C4-HSL) has a dissociation constant (Kd value) of 28.47 nM [2]. |
| References |
[1]. Methods for the Treatment of an Infectious Bacterial Disease with an Anti-Lactone or Lactone Derived Signal Molecules Antibody. US20130045208A1. [2]. C4-HSL aptamers for blocking qurom sensing and inhibiting biofilm formation in Pseudomonas aeruginosa and its structure prediction and analysis. PLoS One. 2019 Feb 19;14(2):e0212041. [3]. Advance of the diversity of bacterial quorum sensing and quorum quenching. National Natural Science Foundation of China. Published online 9 October 2018. |
| Additional Infomation |
(+)-a(S)-butyr-amido-r-butyrolactone is a N-acyl-amino acid. N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide has been reported in Lyngbya majuscula with data available. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~584.15 mM) H2O : ~20 mg/mL (~116.83 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.60 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 (14.60 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 (14.60 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 | 5.8415 mL | 29.2073 mL | 58.4146 mL | |
| 5 mM | 1.1683 mL | 5.8415 mL | 11.6829 mL | |
| 10 mM | 0.5841 mL | 2.9207 mL | 5.8415 mL |