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Chemical structure of A2ti-2

GC61878

A2ti-2

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

A2ti-2 is a selective and low-affinity annexin A2/S100A10 heterotetramer (A2t) inhibitor with an IC50 of 230 μM

ChemicalCAS482646-13-9MW354.43FormulaC18H18N4O2S
CAS number
482646-13-9
Molecular weight
354.43
Formula
C18H18N4O2S
Solubility
DMSO : 250 mg/mL (705·36 mM)
InChIKey
DRZJLOOZLBTLAL-UHFFFAOYSA-N
Catalogue number
GC61878
Brand
GLPBIO
Computed properties PubChem CID 1076904 · XLogP 2.7 · TPSA 108 Ų · H-bond donors 1
XLogP
2.7
TPSA
108 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25

SMILES CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Computed descriptors from PubChem (CID 1076904), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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