3'-Hydroxy Repaglinide-d5 is the deuterium labelled form of 3'-Hydroxy Repaglinide. 3'-Hydroxy Repaglinide is the major CYP2C8 metabolite of Repaglinide.

Physicochemical Properties

Molecular Formula	C27H36N2O5
Molecular Weight	473.62
Exact Mass	473.293
CAS #	1352792-15-4
Related CAS #	3'-Hydroxy Repaglinide;874908-14-2
PubChem CID	71749291
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	34
Complexity	657
Defined Atom Stereocenter Count	0
SMILES	C1C(N2CC(CCC2)O)=C(C=CC=1)C(NC(=O)CC1=CC(OC([2H])([2H])C([2H])([2H])[2H])=C(C=C1)C(O)=O)CC(C)C
InChi Key	OBMAZJVHPAVADF-SGEUAGPISA-N
InChi Code	InChI=1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33)/i1D3,4D2
Chemical Name	4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
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]. A liquid chromatography-tandem mass spectrometry analysis of nine cytochrome P450 probedrugs and their corresponding metabolites in human serum and urine. Anal Bioanal Chem. 2017 Jan;409(1):251-268.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (211.14 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.28 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 (5.28 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.28 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	2.1114 mL	10.5570 mL	21.1140 mL
	5 mM	0.4223 mL	2.1114 mL	4.2228 mL
	10 mM	0.2111 mL	1.0557 mL	2.1114 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.