Physicochemical Properties
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.27 |
| Exact Mass | 252.111 |
| CAS # | 730-08-5 |
| PubChem CID | 5496455 |
| Sequence | H-Tyr-Ala-OH; L-tyrosyl-L-alanine |
| SequenceShortening | YA |
| Appearance | White to off-white solid powder |
| Density | 1.315g/cm3 |
| Boiling Point | 577.8ºC at 760 mmHg |
| Melting Point | 230 ºC (decomp) |
| Flash Point | 303.3ºC |
| Index of Refraction | 1.591 |
| LogP | 0.942 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 18 |
| Complexity | 301 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N |
| InChi Key | NLKUJNGEGZDXGO-XVKPBYJWSA-N |
| InChi Code | InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1 |
| Chemical Name | (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid |
| Synonyms | Tyr-Ala; 730-08-5; tyrosylalanine; L-tyrosyl-L-alanine; Tyrosyl-Alanine; L-Tyr-L-Ala; CHEBI:74879; (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic 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 | Bioactive peptide |
| ln Vitro |
H-Tyr-Ala-OH (Tyrosylalanine) exhibited cytochrome C reducing activity. In an in vitro assay, it was found to reduce cytochrome C, as indicated by a change in absorbance at a specific wavelength, reflecting its ability to participate in electron transfer processes [2] |
| Enzyme Assay |
For assessing cytochrome C reducing activity of H-Tyr-Ala-OH (Tyrosylalanine), a reaction mixture containing cytochrome C and the dipeptide was prepared. The mixture was incubated under controlled conditions, and the reduction of cytochrome C was monitored by measuring the change in absorbance over time at a specific wavelength. The extent of reduction was used to evaluate the activity of the dipeptide [2] Spectroscopic and Structural Analysis (included in Additional Info as per context): H-Tyr-Ala-OH (Tyrosylalanine) was subjected to solid-state IR-LD spectroscopy to analyze its vibrational properties. Quantum chemical calculations and vibrational analysis were also performed to elucidate its structural characteristics, including bond vibrations and molecular geometry in the solid state [1] |
| References |
[1]. Spectroscopic and structural elucidation of L-tyrosine-containing dipeptides valyl-tyrosine and tyrosyl-alanine: solid-state IR-LD spectroscopy, quantum chemical calculations and vibrational analysis. Spectrochim Acta A Mol Biom. [2]. A new cytochrome C reducing dipeptide. J Natl Med Assoc. 1990 Feb;82(2):113-6. |
| Additional Infomation |
H-Tyr-Ala-OH (Tyrosylalanine) is a dipeptide containing L-tyrosine. Its structural and spectroscopic properties were investigated using IR-LD spectroscopy combined with quantum chemical calculations to understand its molecular structure and vibrational behavior [1] ; It was identified as a dipeptide with cytochrome C reducing activity, contributing to redox processes in vitro [2] Tyr-Ala is a dipeptide formed from L-tyrosine and L-alanine residues. It has a role as a metabolite. Tyr-Ala has been reported in Brassica napus and Aeromonas veronii with data available. |
Solubility Data
| Solubility (In Vitro) | H2O: 125 mg/mL (495.50 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (396.40 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 | 3.9640 mL | 19.8200 mL | 39.6401 mL | |
| 5 mM | 0.7928 mL | 3.9640 mL | 7.9280 mL | |
| 10 mM | 0.3964 mL | 1.9820 mL | 3.9640 mL |