Physicochemical Properties
Molecular Formula | C20H31NO4 |
Molecular Weight | 349.46 |
Exact Mass | 349.225 |
CAS # | 303957-69-9 |
PubChem CID | 54684555 |
Appearance | Yellow to orange solid powder |
LogP | 4.025 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 10 |
Heavy Atom Count | 25 |
Complexity | 560 |
Defined Atom Stereocenter Count | 1 |
SMILES | CCCCCCC/C=C/C(=O)N1[C@@H](C(=C(C1=O)C(=O)C)O)CC(C)C |
InChi Key | GNGSBVNLHSNSDF-LPQFERQCSA-N |
InChi Code | InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-11-12-17(23)21-16(13-14(2)3)19(24)18(15(4)22)20(21)25/h11-12,14,16,24H,5-10,13H2,1-4H3/b12-11+/t16-/m1/s1 |
Chemical Name | (2R)-4-acetyl-1-[(E)-dec-2-enoyl]-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one |
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
References |
[1]. Genetic determinants of reutericyclin biosynthesis in Lactobacillus reuteri. Appl Environ Microbiol. 2015 Mar;81(6):2032-41. [2]. Characterization of reutericyclin produced by Lactobacillus reuteri LTH2584. Appl Environ Microbiol. 2000 Oct;66(10):4325-33. |
Additional Infomation | Reutericyclin is a dicarboximide. |
Solubility Data
Solubility (In Vitro) | DMSO : 33.33 mg/mL (95.38 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.15 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (7.15 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.8616 mL | 14.3078 mL | 28.6156 mL | |
5 mM | 0.5723 mL | 2.8616 mL | 5.7231 mL | |
10 mM | 0.2862 mL | 1.4308 mL | 2.8616 mL |