116173-67-2

116173-67-2 structure
116173-67-2 structure
  • Name: β-(2,2,3,3-2H4)Alanine
  • Chemical Name: b-alanine-2,2,3,3-d4
  • CAS Number: 116173-67-2
  • Molecular Formula: C3H3D4NO2
  • Molecular Weight: 93.118
  • Catalog: Research Areas Metabolic Disease
  • Create Date: 2018-03-06 08:00:00
  • Modify Date: 2024-01-09 16:54:51
  • 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.

Name b-alanine-2,2,3,3-d4
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
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
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.

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

~51%

116173-67-2 structure

116173-67-2

Literature: Heinkele, Georg; Hofmann, Ute; Opitz, Joachim; Muerdter, Thomas E. Journal of Labelled Compounds and Radiopharmaceuticals, 2001 , vol. 44, # 1 p. 7 - 11
Precursor  1

DownStream  0