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Chemical structure of BI?3231

GC68761

BI?3231

Also known as 1-[[5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-3-ethyl-5-methylpyrimidine-2,4-dione

BI 3231 is an effective and selective inhibitor of hydroxysteroid 17β-dehydrogenase 13 (HSD17B13), with IC50 values of 1 and 13 nM for hHSD17B13 and mHSD17B13, respectively· BI 3231 has the potential to be used in research on non-alcoholic steatohepatitis (NASH) and other liver diseases

ChemicalCAS2894848-07-6MW380.37FormulaC16H14F2N4O3S
CAS number
2894848-07-6
Molecular weight
380.37
Formula
C16H14F2N4O3S
Solubility
DMSO ： 125 mg/mL (328·63 mM; Need ultrasonic)
InChIKey
XKDHFIPNTTUSIA-UHFFFAOYSA-N
Catalogue number
GC68761
Brand
GLPBIO
Computed properties PubChem CID 167312378 · XLogP 1.6 · TPSA 115 Ų · H-bond donors 1
XLogP
1.6
TPSA
115 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26

SMILES CCN1C(=O)C(=CN(C1=O)CC2=NN=C(S2)C3=C(C(=C(C=C3)F)O)F)C

Computed descriptors from PubChem (CID 167312378), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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