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A2ti-1

CAT: 0957-E1421-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E1421-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A2ti-1 is a selective and high-affinity inhibitor of annexin A2/S100A10 heterotetramer (A2t) with IC50 of 24 μM. A2ti-1 specifically disrupts the protein-protein interaction (PPI) between A2 and S100A10. It also prevents human papillomavirus type 16 (HPV16) infection.
CAS Number
570390-00-0
Target
Anti-infection
Activity
Microbiology
Molecular Formula
C20H22N4O2S
Storage Conditions
3 years -20°C powder

Chemical Information

2-[[4-(2-Ethylphenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Number570390-00-0
PubChem CID1431565
IUPAC Name2-[[4-(2-ethylphenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular FormulaC20H22N4O2S
Molecular Weight382.5
XLogP3.5
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity481
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
Chemical Structure
2D Structure
2D structure of 2-[[4-(2-Ethylphenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS: 570390-00-0
CID: 1431565
Formula: C20H22N4O2S
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass382.14634713
Monoisotopic Mass382.14634713
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity481
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
M34840-01A2ti-1
A24553-10A2ti-1 10mg
A24553-100A2ti-1 100mg
A24553-50A2ti-1 50mg
A24553-5A2ti-1 5mg
GTR19191424-01A2ti-2

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