A2ti-1 - ≥99% , CAS No.570390-00-0

CAS: 570390-00-0 Cat. No.: A650040 分子式: C₂₀H₂₂N₄O₂S 分子量: 382.48 PubChem CID: 1431565

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

A2ti-1 is a selective and high-affinity annexin A2/S100A10 heterotetramer (A2t) inhibitor with an IC 50 of 24 μM A2ti-1 specifically disrupts the protein-protein interaction (PPI) between A2 and S100A10. A2ti-1 prevents human papillomavirus type 16 ( HPV16 ) infection .

In Vitro

A2ti-1 (compound 1 b) is an annexin A2-S100A10 protein-protein interaction blocker. A2ti-1 (100 μM; for 72 hours) reduces HPV16 PsV infection of HeLa cells in a dose-dependent manner. A2ti-1 (10, 25, 50, 75, 100 μM; 24 hours) significantly reduces CFDA-SE-labelled HPV16 PsV entry into HeLa cells in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: HeLa cells Concentration: 100 μM Incubation Time: For 72 hours Result: Reduced HPV16 PsV infection of HeLa cells in a dose-dependent manner with 100% inhibition of infection observed at 100 μM and similar results were observed in HaCaT cells.

Form:Solid

IC50& Target:IC50: 24 μM (A2t)

Specifications

仕様と純度

≥99%

生化学的・生理学的メカニズム

A2ti-1 is a selective and high-affinity annexin A2/S100A10 heterotetramer (A2t) inhibitor with an IC 50 of 24 μM. A2ti-1 specifically disrupts the protein-protein interaction (PPI) between A2 and S100A10. A2ti-1 prevents human papillomavirus type 16

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• カノニカル・スマイル: CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3C
• IUPAC Name: 2-[[4-(2-ethylphenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
• InChIKey: KNQGIFUBCFRGDB-UHFFFAOYSA-N
• 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)
• 異性体SMILES: CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3C
• PubChem CID: 1431565
• 分子量: 382.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: DMSO : 250 mg/mL (653.63 mM; Need ultrasonic)
• 分子量: 382.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 382.146 Da
• Monoisotopic Mass: 382.146 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 481.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 570390-00-0, the molecular formula is C20H22N4O2S, and the molecular weight is 382.48 g/mol. InChIKey KNQGIFUBCFRGDB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.