Physicochemical Properties
| Molecular Formula | C4H7NO2 |
| Molecular Weight | 101.10 |
| Exact Mass | 101.048 |
| CAS # | 38090-53-8 |
| PubChem CID | 5310987 |
| Appearance | Off-white to yellow solid powder |
| Density | 1.169 g/cm3 |
| Boiling Point | 300.4ºC at 760 mmHg |
| Melting Point | >158°C (lit.) |
| Flash Point | 135.5ºC |
| LogP | 0.286 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 7 |
| Complexity | 87.7 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C(/C=C/C(=O)O)N |
| InChi Key | FMKJUUQOYOHLTF-OWOJBTEDSA-N |
| InChi Code | InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+ |
| Chemical Name | (E)-4-aminobut-2-enoic 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
| Targets | KD: 0.6 μM (GABAC)[1]. |
| ln Vivo | TACA may be a substrate for the GABA uptake system because it is a strong competitive inhibitor of GABA uptake in rat brain slices[3]. |
| References |
[1]. Analogues of gamma-aminobutyric acid (GABA) and trans-4-aminocrotonic acid (TACA) substituted in the 2 position as GABAC receptor antagonists. Br J Pharmacol. 1997;122(8):1551-1560. [2]. Role of GABAA and GABAC receptors in the biphasic GABA responses in neurons of the rat major pelvic ganglia. J Neurophysiol. 1999;82(3):1489-1496. [3]. Cis- and trans-4-aminocrotonic acid as GABA analogues of restricted conformation. J Neurochem. 1975;24(1):157-160. |
Solubility Data
| Solubility (In Vitro) |
H2O: 20 mg/mL (197.82 mM) DMSO: < 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 4 mg/mL (39.56 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 | 9.8912 mL | 49.4560 mL | 98.9120 mL | |
| 5 mM | 1.9782 mL | 9.8912 mL | 19.7824 mL | |
| 10 mM | 0.9891 mL | 4.9456 mL | 9.8912 mL |