A2ti-2

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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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