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Chemical structure of A2ti-1

GC60546

A2ti-1

Also known as 2-[[4-(2-ethylphenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

A2ti-1 is a selective and high-affinity annexin A2/S100A10 heterotetramer (A2t) inhibitor with an IC50 of 24 μM

ChemicalCAS570390-00-0MW382.48FormulaC20H22N4O2S
CAS number
570390-00-0
Molecular weight
382.48
Formula
C20H22N4O2S
Solubility
DMSO： 250 mg/mL (653·63 mM)
InChIKey
KNQGIFUBCFRGDB-UHFFFAOYSA-N
Catalogue number
GC60546
Brand
GLPBIO
Computed properties PubChem CID 1431565 · XLogP 3.5 · TPSA 108 Ų · H-bond donors 1
XLogP
3.5
TPSA
108 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27

SMILES CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3C

Computed descriptors from PubChem (CID 1431565), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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