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Chemical structure of TC13172

GC34140

TC13172

Also known as 3-[3-(3-hydroxyphenyl)prop-2-ynyl]-1,7-dimethyl-8-methylsulfonylpurine-2,6-dione

TC13172 is a mixed lineage kinase domain-like protein (MLKL) inhibitor with an EC50 value of 2 nM for HT-29 cells

ChemicalCAS2093393-05-4MW388.4FormulaC17H16N4O5S
CAS number
2093393-05-4
Molecular weight
388.4
Formula
C17H16N4O5S
Solubility
DMSO ： 25 mg/mL (64·37 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
ZTQLCNOQWGSELY-UHFFFAOYSA-N
Catalogue number
GC34140
Brand
GLPBIO
Computed properties PubChem CID 134691750 · XLogP 0.7 · TPSA 121 Ų · H-bond donors 1
XLogP
0.7
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27

SMILES CN1C2=C(N=C1S(=O)(=O)C)N(C(=O)N(C2=O)C)CC#CC3=CC(=CC=C3)O

Computed descriptors from PubChem (CID 134691750), 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
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