D5D-IN-326 is a selective, orally bioavailable inhibitor of delta-5 desaturase (D5D) with IC50s of 72 and 22 nM for rat and human D5D in enzyme and cell assays, respectively, and for D6D Or the activity of D9D has no effect. In food-induced C57BL/6J obese mice, D5D-IN-326 can reduce insulin resistance and reduce mouse body weight.

Physicochemical Properties

Molecular Formula	C17H11F8N3O4
Molecular Weight	473.274172067642
Exact Mass	473.062
CAS #	1236767-85-3
PubChem CID	59416313
Appearance	Pale purple to purple solid powder
LogP	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	32
Complexity	829
Defined Atom Stereocenter Count	0
SMILES	FC(C(F)(F)F)(COC1=NC2=C(C(N1C1C=CC(=CC=1)OCC(F)(F)F)=O)CC(N2)=O)F
InChi Key	NGUQGJZXDBRNOL-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H11F8N3O4/c18-15(19,17(23,24)25)6-32-14-27-12-10(5-11(29)26-12)13(30)28(14)8-1-3-9(4-2-8)31-7-16(20,21)22/h1-4H,5-7H2,(H,26,29)
Chemical Name	2-(2,2,3,3,3-pentafluoropropoxy)-3-[4-(2,2,2-trifluoroethoxy)phenyl]-5,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
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	In enzymatic and cellular studies, D5D-IN-326 is a selective and potent oral delta-5 desaturase (D5D) inhibitor, with IC50 values of 72 and 22 nM for rat and human D5D, respectively, and for D6D or D9D. Exercise has no impact [1].
ln Vivo	When given orally for six weeks, D5D-IN-326 (0.1, 1 and 10 mg/kg) progressively decreased body weight at the 10 mg/kg dose; however, in DIO mice, lesser doses were ineffective after six weeks of treatment [1]. Additionally, D5D-IN-326 (10 mg/kg, orally administered for 6 weeks) dramatically decreased the levels of Ccl2, Cd68, Adgre1, and Il6 gene expression, as well as the mRNA for epididymal Lep and Adipoq, which were significantly elevated in HFD DIO mice [1].
References	[1]. A Novel Selective Inhibitor of Delta-5 Desaturase Lowers Insulin Resistance and Reduces Body Weight in Diet-Induced Obese C57BL/6J Mice. PLoS One. 2016 Nov 10;11(11):e0166198.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~264.12 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.39 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 (4.39 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	2.1130 mL	10.5648 mL	21.1296 mL
	5 mM	0.4226 mL	2.1130 mL	4.2259 mL
	10 mM	0.2113 mL	1.0565 mL	2.1130 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.