Physicochemical Properties
| Molecular Formula | C313CH7NO4 |
| Molecular Weight | 134.10 |
| Exact Mass | 134.04 |
| CAS # | 81201-97-0 |
| Related CAS # | L-Aspartic acid;56-84-8 |
| PubChem CID | 16213451 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Melting Point | >300ºC (dec.)(lit.) |
| Index of Refraction | 1.531 |
| LogP | -2.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 9 |
| Complexity | 133 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | [C@@H](N)([13C](=O)O)CC(=O)O |
| InChi Key | CKLJMWTZIZZHCS-GZPBOPPUSA-N |
| InChi Code | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i4+1 |
| Chemical Name | (2S)-2-amino(113C)butanedioic 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 |
| 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 | It has been demonstrated that L-aspartic acid is an appropriate prodrug for colon-specific drug delivery[1]. Preadministration of 100 mM L-Aspartic acid and 100 mM L-Glu increases the amount of L-[3H]Asp that is still in the brain at 5 minutes by 206 and 178%, respectively; L-[3H]Asp efflux transport is unaffected by 100 mM D-Asp. The coadministration of 100 mM L-Aspartic acid and 100 mM L-Glu, respectively, increases that value for L-[3H]Glu at 20 minutes by 145 and 156%, but not by D-Asp. It's noteworthy to note that L-Aspartic acid appears to traverse the BBB seven times faster than L-Glu does[2]. |
| References |
[1]. In vivo pharmacokinetic study for the assessment of poly(L-aspartic acid) as a drug carrier for colon-specific drug delivery. J Pharmacokinet Biopharm. 1995 Aug;23(4):397-406. [2]. Blood-brain barrier produces significant efflux of L-aspartic acid but not D-aspartic acid: in vivo evidence using the brain efflux index method. J Neurochem. 1999 Sep;73(3):1206-11. |
Solubility Data
| Solubility (In Vitro) |
H2O: 5 mg/mL (37.29 mM) DMSO: < 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2 mg/mL (14.91 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.4571 mL | 37.2856 mL | 74.5712 mL | |
| 5 mM | 1.4914 mL | 7.4571 mL | 14.9142 mL | |
| 10 mM | 0.7457 mL | 3.7286 mL | 7.4571 mL |