LFM-A13 - ≥98%(HPLC) , CAS No.62004-35-7

CAS: 62004-35-7 Cat. No.: L286934 Fórmula: C₁₁H₈Br₂N₂O₂ Peso molecular: 360 Número CE: 835-258-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS028108222 | alpha-Cyano-beta-hydroxy-beta-methyl-N-(2,5-dibromophenyl)propenamide | KBio3_001038 | HMS3370M16 | L0309 | 2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide | Bio2_000450 | KBio2_000579 | KBio2_005715 | KBio3_001037 | Q27166836 | KBioG

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product description：

A potent, cell-permeable, reversible, substrate competitive, and specific inhibitor of Bruton’s Tyrosine Kinase (BTK; IC50 = 17.2 µM for human BTK in vitro and IC50 = 2.5 µM for recombinant BTK). Also inhibits Polo-like kinase in an ATP-competitive manner (IC50 = 10 µM and 61 µM for Plx1 and Plk3, respectively), and displays antitumor properties. Does not affect the enzymatic activity of other protein tyrosine kinases, including EGFR, HCK, IRK JAK1, and JAK3 even at concentrations of 278 µM. Enhances the chemosensitivity of BTK-positive B-lineage leukemia cells to ceramide- and vincristine-induced apoptosis.

A potent, cell-permeable, reversible, substrate competitive, and specific inhibitor of Bruton′s tyrosine kinase (BTK; IC50 = 17.2 µM for human BTK in vitro and IC50 = 2.5 µM for recombinant BTK). Also inhibits Polo-like kinase in an ATP-competitive manner (IC50 = 10 µM and 61 µM for Plx1 and Plk3, respectively), and displays antitumor properties. Does not affect the enzymatic activity of other protein tyrosine kinases, including EGFR, HCK, IRK JAK1, and JAK3 even at concentrations of 278 µM. Enhances the chemosensitivity of BTK-positive B-lineage leukemia cells to ceramide- and vincristine-induced apoptosis.

Specifications

Sinónimos

AKOS028108222 | alpha-Cyano-beta-hydroxy-beta-methyl-N-(2,5-dibromophenyl)propenamide | KBio3_001038 | HMS3370M16 | L0309 | 2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide | Bio2_000450 | KBio2_000579 | KBio2_005715 | KBio3_001037 | Q27166836 | KBioG

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent and selective inhibitor of Bruton's tyrosine kinase (BTK). Inhibits recombinant BTK with an IC50value of 2.5μM and has no activity on other protein kinases ( including JAK1, JAK3, HCK, EGFR kinase and insulin receptor kinase) at concentrations of u

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

488201704

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201704

Sorrisos canónicos

CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O

IUPAC Name

2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide

InChIKey

UVSVTDVJQAJIFG-UHFFFAOYSA-N

INCHI

1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)

SMILES isoméricas

CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O

Peso molecular

360

Reaxy-Rn

10678941

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10678941&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Bromobenzenes Aryl bromides Vinylogous acids Secondary carboxylic acid amides Nitriles Enols Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Enol - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 36, Max Conc. mM: 100
• Sensibilidade: light & heat sensitive
• Peso molecular: 360.000 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 359.893 Da
• Monoisotopic Mass: 357.895 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 62004-35-7, the molecular formula is C11H8Br2N2O2, and the molecular weight is 360 g/mol. InChIKey UVSVTDVJQAJIFG-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.