Physicochemical Properties
| Molecular Formula | C12H12N3O7-.H4N+ |
| Molecular Weight | 328.27804 |
| Exact Mass | 328.101 |
| CAS # | 63699-78-5 |
| PubChem CID | 104545 |
| Appearance | Light yellow to yellow solid powder |
| Boiling Point | 685.7ºC at 760 mmHg |
| Melting Point | 187ºC ± 2.0ºC |
| Flash Point | 368.5ºC |
| LogP | 2.044 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 22 |
| Complexity | 462 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)O)N)C(=O)O)[N+](=O)[O-] |
| InChi Key | AHFFWTMLFDZSOF-QMMMGPOBSA-N |
| InChi Code | InChI=1S/C12H13N3O7/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20)/t8-/m0/s1 |
| Chemical Name | 5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-nitrobenzoic acid |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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
Solubility Data
| Solubility (In Vitro) | H2O : ≥ 30 mg/mL (~91.39 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 7.14 mg/mL (21.75 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0462 mL | 15.2309 mL | 30.4618 mL | |
| 5 mM | 0.6092 mL | 3.0462 mL | 6.0924 mL | |
| 10 mM | 0.3046 mL | 1.5231 mL | 3.0462 mL |