β-(2,2,3,3-2H4)Alanine

Names

[ CAS No. ]:
116173-67-2

[ Name ]:
β-(2,2,3,3-2H4)Alanine

[Synonym ]:
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

Biological Activity

[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.

[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

[ Storage condition ]:
2-8°C

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds