Pi-Methylimidazoleacetic acid HCl is a potential neurotoxin.

Physicochemical Properties

Molecular Formula	C6H9CLN2O2
Molecular Weight	176.600860357285
Exact Mass	176.035
CAS #	1071661-55-6
Related CAS #	Pi-Methylimidazoleacetic acid;4200-48-0
PubChem CID	69892609
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Complexity	138
Defined Atom Stereocenter Count	0
SMILES	Cl.OC(CC1=CN=CN1C)=O
InChi Key	BMKRZGIAUKYDQE-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H8N2O2.ClH/c1-8-4-7-3-5(8)2-6(9)10;/h3-4H,2H2,1H3,(H,9,10);1H
Chemical Name	2-(3-methylimidazol-4-yl)acetic acid;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]. George D. Prell. pros-Methylimidazoleacetic Acid: A Potential Neurotoxin in Brain? Pharmacology of Endogenous Neurotoxins pp 171-187.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~707.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (11.78 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 (11.78 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 (11.78 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	5.6625 mL	28.3126 mL	56.6251 mL
	5 mM	1.1325 mL	5.6625 mL	11.3250 mL
	10 mM	0.5663 mL	2.8313 mL	5.6625 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.