Physicochemical Properties
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.18114 |
| Exact Mass | 169.085 |
| CAS # | 368-16-1 |
| PubChem CID | 64969 |
| Appearance | White to off-white solid powder |
| Density | 1.37g/cm3 |
| Boiling Point | 415ºC at 760mmHg |
| Flash Point | 204.8ºC |
| Index of Refraction | 1.613 |
| LogP | 0.01 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 12 |
| Complexity | 174 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CN1C=NC=C1C[C@@H](C(=O)O)N |
| InChi Key | JDHILDINMRGULE-LURJTMIESA-N |
| InChi Code | InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 |
| Chemical Name | (2S)-2-amino-3-(3-methylimidazol-4-yl)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
| Additional Infomation |
N(pros)-methyl-L-histidine is a L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a N(pros)-methyl-L-histidine zwitterion. 3-Methyl-L-histidine has been reported in Apis cerana, Trypanosoma brucei, and Caenorhabditis elegans with data available. 3-Methylhistidine is a post-translationally modified amino acid found in actin and myosin and a derivative of histidine that has a methyl group bound to the nitrogen at position 3. Urinary levels of 3-methylhistidine are proportional to protein turnover and can be an indicator for myofibrillar protein degradation or a high protein diet. |
Solubility Data
| Solubility (In Vitro) | H2O : ~100 mg/mL (~591.09 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 50 mg/mL (295.54 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 | 5.9109 mL | 29.5543 mL | 59.1086 mL | |
| 5 mM | 1.1822 mL | 5.9109 mL | 11.8217 mL | |
| 10 mM | 0.5911 mL | 2.9554 mL | 5.9109 mL |