Physicochemical Properties
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.25 |
| Exact Mass | 202.132 |
| CAS # | 7298-84-2 |
| PubChem CID | 81721 |
| Appearance | White to off-white solid powder |
| Density | 1.108±0.06 g/cm3 |
| Melting Point | 255-256 ºC |
| Index of Refraction | 19 ° (C=5, MeOH) |
| LogP | 1.04 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 14 |
| Complexity | 216 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N |
| InChi Key | HSQGMTRYSIHDAC-BQBZGAKWSA-N |
| InChi Code | InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1 |
| Chemical Name | (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoic acid |
| Synonyms | Leu-ala; Alanine, N-L-leucyl-, L-; Leucyl-alanine |
| 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]. Molecular recognition of L-leucyl-L-alanine: enantioselective inclusion of alkyl methyl sulfoxides. Tetrahedron. 2005 Jan 31, 61(5): 1107-1113. |
| Additional Infomation |
Leu-Ala is a dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-leucine and a L-alanine. L-Leucyl-L-alanine has been reported in Paraburkholderia, Vitis vinifera, and Trypanosoma brucei with data available. |
Solubility Data
| Solubility (In Vitro) | H2O : ~100 mg/mL (~494.44 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (494.44 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 | 4.9444 mL | 24.7219 mL | 49.4438 mL | |
| 5 mM | 0.9889 mL | 4.9444 mL | 9.8888 mL | |
| 10 mM | 0.4944 mL | 2.4722 mL | 4.9444 mL |