Tris(benzyltriazolylmethyl)amine (TBTA) is a ligand that can be used as a biochemical tool to label proteins and enzymes.

Physicochemical Properties

Molecular Formula	C30H30N10
Molecular Weight	530.6262
Exact Mass	530.265
CAS #	510758-28-8
PubChem CID	11203363
Appearance	Off-white to light yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	762.4±70.0 °C at 760 mmHg
Melting Point	132-143℃
Flash Point	414.9±35.7 °C
Vapour Pressure	0.0±2.6 mmHg at 25°C
Index of Refraction	1.696
LogP	3.18
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	40
Complexity	628
Defined Atom Stereocenter Count	0
InChi Key	WKGZJBVXZWCZQC-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
Chemical Name	1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine
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
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

ln Vitro	Tris(benzyltriazolylmethyl)amine is a novel ligand that has demonstrated promising results in maintaining Cu+ ions available for chemical reactions while stabilizing Cu+ and Cu2+ ions in the reaction environment, whether with sodium atmosphere or anhydrous conditions[1].
References	[1]. One-pot synthesis of TBTA-functionalized coordinating polymers. Reactive and Functional Polymers.2014. 82:1-8.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~188.46 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 5 mg/mL (9.42 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: 5 mg/mL (9.42 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: 5 mg/mL (9.42 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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	1.8846 mL	9.4228 mL	18.8455 mL
	5 mM	0.3769 mL	1.8846 mL	3.7691 mL
	10 mM	0.1885 mL	0.9423 mL	1.8846 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.