A2ti-1

Category	Virus Protease
CAS	570390-00-0
Description	A2ti-1 is a selective and high-affinity inhibitor of annexin A2/S100A10 heterotetramer (A2t) with an IC50 of 24 μM. A2ti-1 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	Acetamide, 2-[[4-(2-ethylphenyl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl]thio]-; 2-({4-(2-Ethylphenyl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
IUPAC Name	2-[[4-(2-ethylphenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular Weight	382.48
Molecular Formula	C20H22N4O2S
Canonical SMILES	CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3C
InChI	InChI=1S/C20H22N4O2S/c1-3-15-9-5-6-10-16(15)24-19(22-23-20(24)27-13-18(21)25)12-26-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H2,21,25)
InChIKey	KNQGIFUBCFRGDB-UHFFFAOYSA-N
Boiling Point	642.4±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 -20°C
Complexity	481
Exact Mass	382.14634713
In Vitro	A2ti-1 is an annexin A2-S100A10 protein-protein interaction blocker, and it reduces HPV16 PsV infection of HeLa cells. A2ti-1 (10, 25, 50, 75, 100 μM; 24 hours) significantly reduces CFDA-SE-labelled HPV16 PsV entry into HeLa cells.
Target	Virus Protease; HPV
XLogP3-AA	3.5