β-(2,2,3,3-2H4)Alanine

Modify Date: 2024-01-09 16:54:51

β-(2,2,3,3-2H4)Alanine structure	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	N/A	Flash Point	97.2±22.6 °C

Use of β-(2,2,3,3-2H4)Alanine

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
Synonym	More Synonyms

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.

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

Dihydrouracil-d4

CAS#:334473-41-5

~51%

β-(2,2,3,3-2H4)...

CAS#: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
CAS#:334473-41-5 Dihydrouracil-d4
DownStream 0

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

β-(2,2,3,3-2H4)Alanine

Use of β-(2,2,3,3-2H4)Alanine

Names

β-(2,2,3,3-2H4)Alanine Biological Activity

Chemical & Physical Properties

Synthetic Route

Precursor & DownStream

Synonyms