ChemSpider 2D Image | LFM-A13 | C11H8Br2N2O2

LFM-A13

  • Molecular FormulaC11H8Br2N2O2
  • Average mass360.001 Da
  • Monoisotopic mass357.895233 Da
  • ChemSpider ID21171575

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-2-Cyan-N-(2,5-dibromphenyl)-3-hydroxy-2-butenamid [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide [ACD/IUPAC Name]
(2Z)-2-Cyano-N-(2,5-dibromophényl)-3-hydroxy-2-buténamide [French] [ACD/IUPAC Name]
(2Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
244240-24-2 [RN]
2-Butenamide, 2-cyano-N-(2,5-dibromophenyl)-3-hydroxy-, (2Z)- [ACD/Index Name]
2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide [ACD/IUPAC Name]
62004-35-7 [RN]
a-cyano-b-hydroxy-b-methyl-N-(2,5-dibromophenyl)propenamide
LFM-A13
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L8789_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosi ne kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties. ChEBI CHEBI:183517

    • Bio Activity:

      Brutons Tyrosine Kinase (BTK) Tocris Bioscience 1300
      Btk Polo-like Kinase (PLK) MedChem Express HY-18009
      Cell Cycle/DNA Damage; Protein Tyrosine Kinase/RTK; MedChem Express HY-18009
      Enzymes Tocris Bioscience 1300
      Kinases Tocris Bioscience 1300
      LFM-A13 is a potent and selective inhibitor of Btk with IC50 of 17.2 uM; also inhibits PLK3 with IC50 of 7.2 uM. MedChem Express
      LFM-A13 is a potent and selective inhibitor of Btk with IC50 of 17.2 uM; also inhibits PLK3 with IC50 of 7.2 uM.;IC50 value:;Target: Btk/PLK dual inhibitor;In vitro: LFM-A13 inhibited recombinant BTK expressed in a baculovirus expression vector system with an IC50 value of 2.5 microM. Even at concentrations as high as 100 micrograms/ml (approximately 278 microM), this novel inhibitor did not affect the enzymatic activity of other protein tyrosine kinases, including JAK1, JAK3, HCK, epidermal growth factor receptor kinase, and insulin receptor kinase [1]. Inhibition of Btk activity by LFM-A13 leads to enhancement of PKCtheta; activity, whereas nonselective inhibition of PKC activity by bisindolylmaleimide I leads to reduction in Btk activity [2].;In vivo: LFM-A13 suppressed migration and differentiation of osteoclast precursors as well as bone-resorbing activity of mature osteoclasts. In primary myeloma-bearing SCID-rab mice, LFM-A13 inhibited osteoclast activity, prevented myeloma MedChem Express HY-18009
      Potent and selective inhibitor of Bruton's tyrosine kinase (BTK). Inhibits recombinant BTK with an IC50 value of 2.5 ?M and has no activity on other protein kinases ( including JAK1, JAK3, HCK, EGFR k inase and insulin receptor kinase) at concentrations of up to 278 ?M. Tocris Bioscience 1300
      Potent and selective inhibitor of Bruton's tyrosine kinase (BTK). Inhibits recombinant BTK with an IC50 value of 2.5 ?M and has no activity on other protein kinases ( including JAK1, JAK3, HCK, EGFR kinase and insulin receptor kinase) at concentrations of up to 278 ?M. Tocris Bioscience 1300
      Potent and selective inhibitor of Bruton's tyrosine kinase (BTK). Inhibits recombinant BTK with an IC50 value of 2.5 muM and has no activity on other protein kinases ( including JAK1, JAK3, HCK, EGFR kinase and insulin receptor kinase) at concentrations of up to 278 muM. Tocris Bioscience 1300
      Potent, selective BTK inhibitor Tocris Bioscience 1300

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 487.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.9±28.7 °C
Index of Refraction: 1.677
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 18.57
ACD/KOC (pH 5.5): 181.78
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.16
Polar Surface Area: 73 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 188.5±3.0 cm3

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