N,N,N′,N′-Tetracyclohexyl-3-oxapentanediamide (Calcium ionophore II) is a lipophilic ionophore that may be utilized to prepare calcium ion selective electrodes.

Physicochemical Properties

Molecular Formula	C28H48N2O3
Molecular Weight	460.69
Exact Mass	460.366
CAS #	74267-27-9
PubChem CID	194578
Appearance	White to off-white solid powder
Density	1.07g/cm3
Boiling Point	613.7ºC at 760 mmHg
Flash Point	325ºC
Index of Refraction	1.536
LogP	5.991
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	33
Complexity	512
Defined Atom Stereocenter Count	0
SMILES	C1CCC(CC1)N(C2CCCCC2)C(=O)COCC(=O)N(C3CCCCC3)C4CCCCC4
InChi Key	URAUKAJXWWFQSU-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H48N2O3/c31-27(29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)21-33-22-28(32)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
Chemical Name	N,N-dicyclohexyl-2-[2-(dicyclohexylamino)-2-oxoethoxy]acetamide
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	The intracellular free calcium can be measured using a calcium ion-selective electrode[1].
References	[1]. Ma YL, et, al. A study of calcium ion-selective PVC membrane electrode based on neutral carrier N,n,n',n'-tetracyclo-3-oxapentanediamide (correction of oxapetanediamide). J Tongji Med Univ. 1992;12(2):98-102.

Solubility Data

Solubility (In Vitro)

DMSO: 2.94 mg/mL (6.38 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 0.29 mg/mL (0.63 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 2.9 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: 0.29 mg/mL (0.63 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 2.9 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: ≥ 0.29 mg/mL (0.63 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 2.9 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	2.1707 mL	10.8533 mL	21.7066 mL
	5 mM	0.4341 mL	2.1707 mL	4.3413 mL
	10 mM	0.2171 mL	1.0853 mL	2.1707 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.