Calcium Ionophore I (ETH 1001) is a selective Ca2+ ionophore for use in biofilms. Calcium ionophore I may be utilized in Ca2+ electrode microelectrodes, which may be utilized to quantitatively determine intracellular resting Ca2+ activity and slowly changing Ca2+ levels.

Physicochemical Properties

Molecular Formula	C38H72N2O8
Molecular Weight	684.98688
Exact Mass	684.529
CAS #	58801-34-6
PubChem CID	2511
Appearance	Colorless to light yellow liquid
Density	1g/cm3
Boiling Point	715.1ºC at 760mmHg
Flash Point	386.3ºC
LogP	7.641
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	35
Heavy Atom Count	48
Complexity	759
Defined Atom Stereocenter Count	0
SMILES	CCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
InChi Key	CJAONIOAQZUHPN-UHFFFAOYSA-N
InChi Code	InChI=1S/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3
Chemical Name	ethyl 12-[[2-[3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yloxy]acetyl]-methylamino]dodecanoate
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

References

[1]. The effect of ETH 1001 on ion fluxes across red blood cell membranes. Cell Calcium. 1985 Jun;6(3):265-79. [2]. D Ammann. Ca2+-selective microelectrodes. Cell Calcium. 1985 Apr;6(1-2):39-55.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~145.99 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.65 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 (3.65 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (3.65 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 25.0 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	1.4599 mL	7.2994 mL	14.5988 mL
	5 mM	0.2920 mL	1.4599 mL	2.9198 mL
	10 mM	0.1460 mL	0.7299 mL	1.4599 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.