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D5D-IN-326

Cat No.:V19072 Purity: ≥98%
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.
D5D-IN-326
D5D-IN-326 Chemical Structure CAS No.: 1236767-85-3
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
Other Sizes
Official Supplier of:
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Product Description
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.
Biological Activity I Assay Protocols (From Reference)
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.

These protocols are for reference only. InvivoChem does not independently validate these methods.
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)
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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Biological Data
  • Effects of chronic treatment with compound-326 on BW, calorie intake, and blood PD markers in DIO mice. DIO mice (initial BW; 31.1±1.6 g) were treated with compound-326 (0.1, 1, and 10 mg/kg), 30 mg/kg sibutramine, or vehicle p.o. for 6 weeks. (A) Changes in BW from initial value. (B) Daily calorie intake during the study. (C) Changes in blood AA and DGLA concentrations after 6-week treatment. (D) Changes in the blood AA to DGLA ratio after 6-week treatment. Data are expressed as mean ± SE (n = 7). #p≤ 0.025 vs. DIO vehicle by Williams' test. §p≤ 0.025 vs. DIO vehicle by Shirley-Williams test. *p≤ 0.05, **p≤ 0.01 vs. DIO vehicle by Aspin-Welch test. ¶p≤ 0.05, ¶¶p≤ 0.01 vs. DIO vehicle by Student's t-test.[1].PLoS One. 2016 Nov 10;11(11):e0166198.
  • Effects of chronic treatment with compound-326 on plasma glucose and insulin during an OGTT, and HOMA-IR in DIO mice. Oral glucose tolerance test (OGTT) was performed after chronic treatment with compound-326 for 6 weeks in DIO mice. (A) Changes in plasma glucose levels. (B) Effect on plasma glucose AUC. (C) Changes in plasma insulin levels. (D) Effect on HOMA-IR. Data are expressed as mean ± SE (n = 7). §p≤ 0.025 vs. DIO vehicle by Shirley-Williams test. ¶p≤ 0.05 vs. DIO vehicle by Student's t-test.[1].PLoS One. 2016 Nov 10;11(11):e0166198.
  • Effects of chronic treatment with compound-326 on PD markers and gene expression in WAT in DIO mice. HFD-fed DIO mice were treated with compound-326 (10 mg/kg), p.o. for 6 weeks. Mice fed a normal diet (ND) were used as normal reference. (A) Levels of AA and DGLA in epididymal adipose tissue. (B) AA to DGLA ratio in epididymal adipose tissue. RT-qPCR was performed in epididymal (C) and subcutaneous fat tissues (D) after 6-week treatment. Data are expressed as mean ± SE (n = 8–9). *p≤ 0.05, **p≤ 0.01 vs. DIO vehicle by Aspin-Welch test. ¶p≤ 0.05, ¶¶p≤ 0.01 vs. DIO vehicle by Student's t-test.[1].PLoS One. 2016 Nov 10;11(11):e0166198.
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