Physicochemical Properties
| Molecular Formula | C7H13NO3S |
| Molecular Weight | 191.25 |
| Exact Mass | 191.061 |
| CAS # | 1115-47-5 |
| Related CAS # | N-Acetyl-L-methionine;65-82-7 |
| PubChem CID | 6180 |
| Appearance | White to off-white solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 453.6±40.0 °C at 760 mmHg |
| Melting Point | 117-119 °C(lit.) |
| Flash Point | 228.1±27.3 °C |
| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
| Index of Refraction | 1.511 |
| LogP | -0.19 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 12 |
| Complexity | 172 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(=O)NC(CCSC)C(=O)O |
| InChi Key | XUYPXLNMDZIRQH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) |
| Chemical Name | 2-acetamido-4-methylsulfanylbutanoic acid |
| Synonyms | N-Acetyl-DL-methionine; METHIONINE, N-ACETYL-; 1115-47-5; Ac-DL-Met-OH; Acetyl-DL-methionine; DL-Methionine, N-acetyl-; DL-N-Acetylmethionine; Methionine, N-acetyl-, DL-; |
| 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 | Endogenous metabolite. |
| ln Vitro | N-acetylmethionine is a methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group. It is a N-acyl-amino acid, a methionine derivative, a methyl sulfide and a monocarboxylic acid. It is a conjugate acid of a N-acetylmethioninate. |
| Toxicity/Toxicokinetics | mouse LD50 intraperitoneal 6700 mg/kg Archives Internationales de Pharmacodynamie et de Therapie., 91(163), 1952 [PMID:13008496] |
| References | [1]. https://pubchem.ncbi.nlm.nih.gov/compound/6180 |
| Additional Infomation |
N-acetylmethionine is a methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group. It is a N-acyl-amino acid, a methionine derivative, a methyl sulfide and a monocarboxylic acid. It is a conjugate acid of a N-acetylmethioninate. See also: N-Acetylmethionine (annotation moved to). |
Solubility Data
| Solubility (In Vitro) |
H2O: 125 mg/mL (653.59 mM) DMSO: 100 mg/mL (522.88 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (13.07 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (13.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2288 mL | 26.1438 mL | 52.2876 mL | |
| 5 mM | 1.0458 mL | 5.2288 mL | 10.4575 mL | |
| 10 mM | 0.5229 mL | 2.6144 mL | 5.2288 mL |