DMA-135 HCl inhibits enterovirus type 71 (EV71) IRES-dependent translation and replication. DMA-135 HCl binds to the SLII domain of EV71 with moderately high affinity (KD=?520? nM). DMA-135 HCl showed no significant toxicity in cell-based studies. DMA-135 (HCl) is a click chemical reagent. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.

Physicochemical Properties

Molecular Formula	C16H18CLN7O
Molecular Weight	359.81
Exact Mass	359.126
CAS #	2237925-62-9
PubChem CID	163196482
Appearance	Light yellow to yellow solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Complexity	537
Defined Atom Stereocenter Count	0
SMILES	N=C(N)NC(C1N=C(C#CC2C=CC=CC=2)C(N(C)C)=NC=1N)=O.Cl
InChi Key	RBMSZKWMVJWPEP-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H17N7O.ClH/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19;/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24);1H
Chemical Name	3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(2-phenylethynyl)pyrazine-2-carboxamide;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]. IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex. Nat Commun. 2020;11(1):4775. Published 2020 Sep 22.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~138.96 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (13.90 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 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 (13.90 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7792 mL	13.8962 mL	27.7924 mL
	5 mM	0.5558 mL	2.7792 mL	5.5585 mL
	10 mM	0.2779 mL	1.3896 mL	2.7792 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.