CAS 116173-67-2|β-(2,2,3,3-2H4)Alanine
Introduction：Basic information about CAS 116173-67-2|β-(2,2,3,3-2H4)Alanine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | β-(2,2,3,3-2H4)Alanine | ||
|---|---|---|---|
| CAS Number | 116173-67-2 | Molecular Weight | 93.118 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 237.1±23.0 °C at 760 mmHg |
| Molecular Formula | C3H3D4NO2 | Melting Point | >198°C |
| MSDS | / | Flash Point | 97.2±22.6 °C |
Names
| Name | b-alanine-2,2,3,3-d4 |
|---|---|
| Synonym | More Synonyms |
β-(2,2,3,3-2H4)Alanine BiologicalActivity
| Description | β-Alanine-d4 (2-Carboxyethylamine-d4) is the deuterium labeled β-Alanine. β-Alanine is a non-essential amino acid that is shown to be metabolized into carnosine, which functions as an intracellular buffer. |
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| Related Catalog | Research Areas >>Metabolic Disease |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Vaughan RA, et al. β-alanine suppresses malignant breast epithelial cell aggressiveness through alterations in metabolism and cellular acidity in vitro. Mol Cancer. 2014 Jan 24;13:14. [3]. Vaughan RA, et al. β-alanine suppresses malignant breast epithelial cell aggressiveness through alterations in metabolism and cellular acidity in vitro. Mol Cancer. 2014 Jan 24;13:14. [4]. Vaughan RA, et al. β-alanine suppresses malignant breast epithelial cell aggressiveness through alterations in metabolism and cellular acidity in vitro. Mol Cancer. 2014 Jan 24;13:14. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 237.1±23.0 °C at 760 mmHg |
| Melting Point | >198°C |
| Molecular Formula | C3H3D4NO2 |
| Molecular Weight | 93.118 |
| Flash Point | 97.2±22.6 °C |
| Exact Mass | 93.072784 |
| PSA | 63.32000 |
| LogP | -0.86 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.463 |
| InChIKey | UCMIRNVEIXFBKS-LNLMKGTHSA-N |
| SMILES | NCCC(=O)O |
| Storage condition | 2-8°C |
Synonyms
| β-(2,2,3,3-H)Alanine |
| 4-Aminobutyric acid-2,2-d2 |
| GABA-d2 |
| 4-amino-2,2-dideuterio-butyric acid |
| β-alanine-2,2,3,3-d |
