Diethyl-pythiDC is a collagen prolyl 4-hydroxylase (CP4Hs) inhibitor.

Physicochemical Properties

Molecular Formula	C14H14N2O4S
Molecular Weight	306.336962223053
Exact Mass	306.067
CAS #	1821370-70-0
PubChem CID	122554535
Appearance	Off-white to light yellow solid powder
LogP	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	21
Complexity	380
Defined Atom Stereocenter Count	0
SMILES	S1C(C(=O)OCC)=CN=C1C1C=CC(C(=O)OCC)=CN=1
InChi Key	NSMODRMOSSBWGQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H14N2O4S/c1-3-19-13(17)9-5-6-10(15-7-9)12-16-8-11(21-12)14(18)20-4-2/h5-8H,3-4H2,1-2H3
Chemical Name	ethyl 2-(5-ethoxycarbonylpyridin-2-yl)-1,3-thiazole-5-carboxylate
Synonyms	Diethyl pythiDC; Diethyl-pythiDC
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

When hyl-pythiDC is added to food, it inhibits CP4H activity in cells at a level that keeps iron deficiency from occurring. Bis-heteroaryldiamino simulated salt was applied to MDA-MB-231 cells, and the effects on cell culture toxicity and iron deficiency markers were assessed. At high micromolar concentrations, none of the esterified diheteroaryldiamino compounds demonstrated lethal action. Strong iron deficiency phenotypes were seen in those receiving EDHB treatment. At doses up to 500 μM, cells treated with Dieth-pythiDC (hyl pythiDC added to the diet) seem normal. Dieth-pythiDC treatment and low dieth-pymDC levels had no effect on TfR, HIF-1α, or ferritin levels [1].

References

[1]. Selective Inhibition of Collagen Prolyl 4-Hydroxylase in Human Cells. ACS Chem Biol. 2016 Jan 15;11(1):193-9.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~108.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (8.16 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 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 (8.16 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. Solubility in Formulation 3: 33.33 mg/mL (108.80 mM) in Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2643 mL	16.3217 mL	32.6435 mL
	5 mM	0.6529 mL	3.2643 mL	6.5287 mL
	10 mM	0.3264 mL	1.6322 mL	3.2643 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.