Cysteinylglycine TFA is an endogenously produced metabolite used in disease diagnosis.

Physicochemical Properties

Molecular Formula	C7H11F3N2O5S
Molecular Weight	292.23
Exact Mass	292.034
CAS #	1100364-95-1
Related CAS #	Cysteinylglycine;19246-18-5
PubChem CID	122705218
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	18
Complexity	245
Defined Atom Stereocenter Count	1
SMILES	OC(=O)CNC(=O)[C@@H](N)CS.OC(=O)C(F)(F)F
InChi Key	MXSFOYPUMNYFEW-DFWYDOINSA-N
InChi Code	InChI=1S/C5H10N2O3S.C2HF3O2/c6-3(2-11)5(10)7-1-4(8)9;3-2(4,5)1(6)7/h3,11H,1-2,6H2,(H,7,10)(H,8,9);(H,6,7)/t3-;/m0./s1
Chemical Name	2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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	Human Endogenous Metabolite
References	[1]. Plasma B-vitamin and one-carbon metabolites and risk of breast cancer before and after folicacid fortification in the United States. Int J Cancer. 2019 Apr 15;144(8):1929-1940.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (855.49 mM) H2O: 125 mg/mL (427.75 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.12 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 20.8 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: ≥ 2.08 mg/mL (7.12 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 20.8 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: ≥ 2.08 mg/mL (7.12 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 20.8 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	3.4220 mL	17.1098 mL	34.2196 mL
	5 mM	0.6844 mL	3.4220 mL	6.8439 mL
	10 mM	0.3422 mL	1.7110 mL	3.4220 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.