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A2ti-2

CAT: 1410-M34841-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M34841-04Size:25 mg
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Description
A2ti-2 is a low affinity and selective inhibitor of the membrane-bound protein A2/S100A10 heterotetramer (A2t) (IC50 : 230 μM) .A2ti-2 exhibits antiviral activity by selectively disrupting protein interactions between A2 and S100A10, and protects against human papillomavirus type 16 (HPV16) infection.
CAS Number
482646-13-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
354.43
Molecular Formula
C18H18N4O2S
Notes
Research use only, not for human use.
Receptor
Virus Protease | Antiviral

Chemical Information

2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide
CAS Number482646-13-9
PubChem CID1076904
IUPAC Name2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular FormulaC18H18N4O2S
Molecular Weight354.4
XLogP2.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity433
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
Chemical Structure
2D Structure
2D structure of 2-{5-[(2-Methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetamide
CAS: 482646-13-9
CID: 1076904
Formula: C18H18N4O2S
MW: 354.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass354.11504700
Monoisotopic Mass354.11504700
Topological Polar Surface Area108 Ų
Heavy Atom Count25
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA1986-5.1A2ti-2
BA1983-5.1A2ti-1

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