ChemSpider 2D Image | Tirbanibulin | C26H29N3O3

Tirbanibulin

  • Molecular FormulaC26H29N3O3
  • Average mass431.527 Da
  • Monoisotopic mass431.220886 Da
  • ChemSpider ID24633341

More details:

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

2-Pyridineacetamide, 5-[4-[2-(4-morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)- [ACD/Index Name]
897016-82-9 [RN]
N-Benzyl-2-(5-{4-[2-(4-morpholinyl)ethoxy]phenyl}-2-pyridinyl)acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-(5-{4-[2-(4-morpholinyl)ethoxy]phenyl}-2-pyridinyl)acetamide [ACD/IUPAC Name]
N-Benzyl-2-(5-{4-[2-(4-morpholinyl)éthoxy]phényl}-2-pyridinyl)acétamide [French] [ACD/IUPAC Name]
Tirbanibulin [INN]
tirbanibulina [Spanish] [INN]
tirbanibuline [French] [INN]
tirbanibulinum [Latin] [INN]
тирбанибулин [Russian] [INN]
More...

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

4V9848RS5G [DBID]
KX-01 [DBID]
KX2-391 [DBID]
KX 01 [DBID]
KX 2-391 [DBID]
KX01 [DBID]
KX-2-391 [DBID]
UNII:4V9848RS5G [DBID]
UNII-4V9848RS5G [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      KX2-391 (KX01), the first clinical Src inhibitor (peptidomimetic class) that targets the peptide substrate site of Src, with GI50 of 9-60 nM in cancer cell lines. MedChem Express http://www.medchemexpress.com/KX2-391-dihydrochloride.html, HY-10340
      KX2-391 (KX01), the first clinical Src inhibitor (peptidomimetic class) that targets the peptide substrate site of Src, with GI50 of 9-60 nM in cancer cell lines. ;IC50 value: 9-60 nM (GI50) [1];Target: Src kinase;In vitro: KX2-391 is a Src inhibitor that is directed to the Src substrate pocket. KX2-391 shows steep dose-response curves against Huh7 (GI 50 = 9 nM), PLC/PRF/5 (GI 50 = 13 nM), Hep3B (GI 50 = 26 nM), and HepG2 (GI 50 = 60 nM), four hepatic cell cancer (HCC) cell lines[1]. KX2-391 is found to inhibit certain leukemia cells that are resistant to current commercially available drugs, such as those derived from chronic leukemia cells with the T3151 mutation. KX2-391 is evaluated in engineered Src driven cell growth assays inNIH3T3/c-Src527F and SYF/c-Src527F cells and exhibits GI50 with 23 nM and 39 nM, respectively [2]. ;In vivo: In pre-clinical animal models of cancer, orally administered KX2-391 is shown to inhibit primary tumor growth and to suppress metastasis [2]. MedChem Express HY-10340
      Protein Tyrosine Kinase/RTK MedChem Express HY-10340
      Protein Tyrosine Kinase/RTK; MedChem Express HY-10340
      Src MedChem Express HY-10340

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.6±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 16.96
ACD/KOC (pH 5.5): 144.98
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 128.59
ACD/KOC (pH 7.4): 1099.10
Polar Surface Area: 64 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 369.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement