ChemSpider 2D Image | TG 100801 | C33H30ClN5O3

TG 100801

  • Molecular FormulaC33H30ClN5O3
  • Average mass580.076 Da
  • Monoisotopic mass579.203735 Da
  • ChemSpider ID10147091

More details:

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

1VZO7A0J9S
4-Chlor-3-[5-methyl-3-({4-[2-(1-pyrrolidinyl)ethoxy]phenyl}amino)-1,2,4-benzotriazin-7-yl]phenyl-benzoat [German] [ACD/IUPAC Name]
4-chloro-3-(5-methyl-3-((4-(2-pyrrolidin-1-ylethoxy)phenyl)amino)-1,2,4-benzotriazin-7-yl)phenyl benzoate
4-Chloro-3-[5-methyl-3-({4-[2-(1-pyrrolidinyl)ethoxy]phenyl}amino)-1,2,4-benzotriazin-7-yl]phenyl benzoate [ACD/IUPAC Name]
867331-82-6 [RN]
Benzoate de 4-chloro-3-[5-méthyl-3-({4-[2-(1-pyrrolidinyl)éthoxy]phényl}amino)-1,2,4-benzotriazin-7-yl]phényle [French] [ACD/IUPAC Name]
Phenol, 4-chloro-3-[5-methyl-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-1,2,4-benzotriazin-7-yl]-, benzoate (ester) [ACD/Index Name]
TG 100801
TG-100801
[4-chloro-3-[5-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Protein Tyrosine Kinase/RTK MedChem Express HY-10186
      Protein Tyrosine Kinase/RTK; MedChem Express HY-10186
      Src MedChem Express HY-10186
      Src VEGFR MedChem Express HY-10186
      TG 100801 is the prodrug of TG 100572 (HY-10184), TG 100572 is a multi-targeted kinase inhibitor that inhibit select growth factor receptor tyrosine kinases and Src familt kinases with IC50 values of 2/7/2/1/0.5 nM or VEGFR1/VEGFR2/FGFR1/Src/Fyn kianse respectively.; IC50 value: ; Target: Src familt kinase; VEGFR; TG 100801 is currently in a clinical trial as a first in class, VEGFr2 targeting, topically applied compound for the treatment of AMD. MedChem Express HY-10186
      TG 100801 is the prodrug of TG 100572 (HY-10184), TG 100572 is a multi-targeted kinase inhibitor that inhibit select growth factor receptor tyrosine kinases and Src familt kinases with IC50 values of 2/7/2/1/0.5 nM or VEGFR1/VEGFR2/FGFR1/Src/Fyn kianse respectively.;IC50 value: ;Target: Src familt kinase; VEGFR;TG 100801 is currently in a clinical trial as a first in class, VEGFr2 targeting, topically applied compound for the treatment of AMD. The formation of new blood vessels (angiogenesis), blood vessel leakage, and inflammation contribute to the progression of the eye disease, age-related macular degeneration (AMD), which is the leading cause of irreversible, severe loss of vision in people 55 years of age and older in the developed world. TG100801 is a new drug that inhibits ocular angiogenesis, vascular leak, and inflammation in laboratory studies, and may have great utility in the treatment of diseases such as AMD. MedChem Express HY-10186
      TG 100801 is the prodrug of TG 100572 (HY-10184), TG 100572 is a multi-targeted kinase inhibitor that inhibit select growth factor receptor tyrosine kinases and Src familt kinases with IC50 values of 2/7/2/1/0.5 nM or VEGFR1/VEGFR2/FGFR1/Src/Fyn kianse respectively. MedChem Express

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

Density: 1.3±0.1 g/cm3
Boiling Point: 747.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 91.18
ACD/KOC (pH 5.5): 119.08
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 769.52
ACD/KOC (pH 7.4): 1004.98
Polar Surface Area: 89 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 442.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement