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A2ti-2

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Category Human papillomavirus (HPV)
CAS 482646-13-9
Description A2ti-2 is a selective and low-affinity inhibitor of annexin A2/S100A10 heterotetramer (A2t) with an IC50 of 230 μM. A2ti-2 specifically disrupts the protein-protein interaction (PPI) between A2 and S100A10. It protects against human papillomavirus type 16 (HPV16) infection.
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Product Information

Synonyms 2-{5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide; Acetamide, 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-; 2-({5-[(2-Methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
IUPAC Name 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular Weight 354.43
Molecular Formula C18H18N4O2S
Canonical SMILES CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N
InChI InChI=1S/C18H18N4O2S/c1-13-7-5-6-10-15(13)24-11-17-20-21-18(25-12-16(19)23)22(17)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H2,19,23)
InChIKey DRZJLOOZLBTLAL-UHFFFAOYSA-N
Boiling Point 626.5±65.0°C at 760 mmHg
Purity ≥98%
Density 1.3±0.1 g/cm3
Solubility Soluble in DMSO
Appearance White to Off-white Solid
Storage Store at 2-8°C
Complexity 433
Exact Mass 354.11504700
In Vitro A2ti-2 is an annexin A2-S100A10 protein-protein interaction blocker, and is less effective with <50% reduction in HPV16 PsV infection achieved at 100 μM. A2ti-1 decreases HPV16 entry with a 20% reduction at 100 μM.
Target Virus Protease; HPV
XLogP3-AA 2.7

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