Methyltetrazine-Amine is a tetrazine compound that may be utilized to prepare site-specific bifunctional bioconjugates.

Physicochemical Properties

Molecular Formula	C10H12CLN5
Molecular Weight	237.688779830933
Exact Mass	237.078
CAS #	1596117-29-1
Related CAS #	Methyltetrazine-Amine;1345955-28-3
PubChem CID	118239091
Appearance	Pale purple to purple solid powder
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Complexity	182
Defined Atom Stereocenter Count	0
InChi Key	NIGOLWATPZTKQT-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H11N5.ClH/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9;/h2-5H,6,11H2,1H3;1H
Chemical Name	[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
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, avoid exposure to moisture.
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

References

[1]. Antoine Maruani, et al. A Plug-and-Play Approach for the De Novo Generation of Dually Functionalized Bispecifics. Bioconjug Chem. 2020 Mar 18;31(3):520-529.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (420.72 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (10.52 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 25.0 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: ≥ 2.5 mg/mL (10.52 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.2072 mL	21.0358 mL	42.0716 mL
	5 mM	0.8414 mL	4.2072 mL	8.4143 mL
	10 mM	0.4207 mL	2.1036 mL	4.2072 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.