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Chemical structure of I3MT-3

GC61410

I3MT-3

Also known as 4-methyl-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

I3MT-3 (HMPSNE) is a potent, selective, and cell-membrane permeable inhibitor of 3-Mercaptopyruvate sulfurtransferase (3MST) (IC50=2·7 μM)

ChemicalCAS459420-09-8MW310.37FormulaC17H14N2O2S
CAS number
459420-09-8
Molecular weight
310.37
Formula
C17H14N2O2S
Solubility
DMSO： 125 mg/mL (402·75 mM)
InChIKey
KKPLVAUVHOSUPR-UHFFFAOYSA-N
Catalogue number
GC61410
Brand
GLPBIO
Computed properties PubChem CID 135412420 · XLogP 3.3 · TPSA 83.8 Ų · H-bond donors 1
XLogP
3.3
TPSA
83.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

SMILES CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=CC3=CC=CC=C32

Computed descriptors from PubChem (CID 135412420), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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