Physicochemical Properties
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.19 |
| Exact Mass | 181.074 |
| CAS # | 42990-62-5 |
| PubChem CID | 170717 |
| Appearance | White to off-white solid powder |
| LogP | 1.272 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 13 |
| Complexity | 172 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1(C=CC=CC=1)C[C@H](ON)C(=O)O |
| 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]. NikolausAmrhein, et al. α-aminooxy-β-phenylpropionic acid — a potent inhibitor of L-phenylalanine ammonia-lyase in vitro and in vivo. Plant Science Letters Volume 8, Issue 4, April 1977, Pages 313-317. |
Solubility Data
| Solubility (In Vitro) | DMSO: 250 mg/mL (1379.77 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (11.48 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 20.8 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: ≥ 2.08 mg/mL (11.48 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 20.8 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: ≥ 2.08 mg/mL (11.48 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 20.8 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 | 5.5191 mL | 27.5953 mL | 55.1907 mL | |
| 5 mM | 1.1038 mL | 5.5191 mL | 11.0381 mL | |
| 10 mM | 0.5519 mL | 2.7595 mL | 5.5191 mL |