HSD17B13-IN-8 (1) is an inhibitor of 17β-hydroxysteroid dehydrogenase (HSD17B13) with IC50 values of <0.1 μM for estradiol and <1 μM for LTB3. It can be used in the study of non-alcoholic fatty liver disease.

Physicochemical Properties

Molecular Formula	C21H19CLN2O4S
Molecular Weight	430.904563188553
Exact Mass	430.075
CAS #	2758802-02-5
PubChem CID	162685438
Appearance	Off-white to light yellow solid powder
LogP	4.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	29
Complexity	567
Defined Atom Stereocenter Count	0
InChi Key	OSRFYHIZLRRIKJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H19ClN2O4S/c1-28-18-5-3-2-4-13(18)8-10-23-21(27)19-16(9-11-29-19)24-20(26)14-6-7-17(25)15(22)12-14/h2-7,9,11-12,25H,8,10H2,1H3,(H,23,27)(H,24,26)
Chemical Name	3-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
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].Thiophene hsd17b13 inhibitors and uses thereof. Patent WO2022020714.

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~232.07 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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 (5.80 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 and add it to 900 μL corn oil and mix well.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3207 mL	11.6036 mL	23.2072 mL
	5 mM	0.4641 mL	2.3207 mL	4.6414 mL
	10 mM	0.2321 mL	1.1604 mL	2.3207 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.