MedKoo Cat#: 122723 | Name: BI-3231
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

BI-3231 is a Potent and Selective HSD17B13 Inhibitor. 17β-hydroxysteroid dehydrogenase type 13 (HSD17B13) is an enzyme primarily expressed in the liver and associated with lipid metabolism. Elevated levels of HSD17B13 have been linked to non-alcoholic fatty liver disease (NAFLD) and non-alcoholic steatohepatitis (NASH). In vitro studies have demonstrated that BI-3231 effectively reduces lipotoxic effects induced by palmitic acid in both human and murine hepatocytes. Treatment with BI-3231 led to decreased triglyceride accumulation, improved hepatocyte proliferation, and enhanced mitochondrial respiratory function without affecting β-oxidation.BI-3231 exhibits high metabolic stability in liver microsomes and moderate stability in hepatocytes.

Chemical Structure

BI-3231
BI-3231
CAS#2894848-07-6

Theoretical Analysis

MedKoo Cat#: 122723

Name: BI-3231

CAS#: 2894848-07-6

Chemical Formula: C16H14F2N4O3S

Exact Mass: 380.0800

Molecular Weight: 380.37

Elemental Analysis: C, 50.52; H, 3.71; F, 9.99; N, 14.73; O, 12.62; S, 8.43

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
BI‑3231; BI3231; BI 3231
IUPAC/Chemical Name
1-((5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl)methyl)-3-ethyl-5-methylpyrimidine-2,4(1H,3H)-dione
InChi Key
XKDHFIPNTTUSIA-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H14F2N4O3S/c1-3-22-15(24)8(2)6-21(16(22)25)7-11-19-20-14(26-11)9-4-5-10(17)13(23)12(9)18/h4-6,23H,3,7H2,1-2H3
SMILES Code
CCN(C(N(CC1=NN=C(C2=C(F)C(O)=C(F)C=C2)S1)C=C3C)=O)C3=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
17-β-hydroxysteroid dehydrogenase 13 (HSD17B13), a lipid droplet-associated enzyme, is primarily expressed in the liver and plays an important role in lipid metabolism. Targeted inhibition of enzymatic function is a potential therapeutic strategy for treating steatotic liver disease (SLD). BI-3231 represents a promising therapeutic candidate for the treatment of steatotic liver diseases

Preparing Stock Solutions

The following data is based on the product molecular weight 380.37 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Thamm S, Willwacher MK, Aspnes GE, Bretschneider T, Brown NF, Buschbom-Helmke S, Fox T, Gargano EM, Grabowski D, Hoenke C, Matera D, Mueck K, Peters S, Reindl S, Riether D, Schmid M, Tautermann CS, Teitelbaum AM, Trünkle C, Veser T, Winter M, Wortmann L. Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science. J Med Chem. 2023 Feb 2. doi: 10.1021/acs.jmedchem.2c01884. Epub ahead of print. PMID: 36727857.