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Epacadostat c11h13brfn7o4s structure

Subject: Others
Info
  • Published: December 14, 2021
  • Updated: July 19, 2022
  • Language: English
  • Downloads: 13
Table of Contents
  1. Experimental Solubility:
  2. Safety:
  3. Bio Activity:

Contents

  • Bio Activity:
Molecular Formula C 11 H 13 BrFN 7 O 4 S
Average mass 438. 233 Da
Density 2. 0±0. 1 g/cm 3
Boiling Point 672. 3±65. 0 °C at 760 mmHg
Flash Point 360. 4±34. 3 °C
Molar Refractivity 87. 8±0. 5 cm 3
Polarizability 34. 8±0. 5 10 -24 cm 3
Surface Tension 77. 6±7. 0 dyne/cm
Molar Volume 217. 3±7. 0 cm 3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      DMSO 50 mg/mlMedChem ExpressHY-15689
      Soluble in DMSOAxon Medchem1733
      Water 100 mM MethanolMedChem ExpressHY-15689
  • Miscellaneous

    • Safety:

      5Axon Medchem1733
      H303; H313; H317; H333; H334; H335; H373Axon Medchem1733
      no pictogramAxon Medchem1733
      P101; P102; P103; P260; P262; P263; P264; P270; P280; P304; P312; P340Axon Medchem1733
      WarningAxon Medchem1733

    • Bio Activity:

      IDOMedChem ExpressHY-15689
      INCB 024360 is a potent and novel indoleamine-2, 3 dioxygenase (IDO)inhibitor with an IC50 value <100 nM. MedChem Express
      INCB 024360 is a potent and novel indoleamine-2, 3 dioxygenase (IDO)inhibitor with an IC50 value <100 nM.; IC50 Value: <100 nM [1]; Target: Indoleamine-2, 3-dioxygenase ; IDO is an immunomodulatory enzyme produced by some alternatively activated macrophages and other immunoregulatory cells (also used as an immune subversion strategy by many tumors). MedChem ExpressHY-15689
      INCB 024360 is a potent and novel indoleamine-2, 3 dioxygenase (IDO)inhibitor with an IC50 value <100 nM.; IC50 Value: <100 nM [1]; Target: Indoleamine-2, 3-dioxygenase ; IDO is an immunomodulatory enzyme produced by some alternatively activated macrophages and other immunoregulatory cells (also used as an immune subversion strategy by many tumors). Interferon-gamma has an antiproliferative effect on many tumor cells and inhibits intracellular pathogens such as Toxoplasma and chlamydia, at least partly because of the induction of indoleamine 2, 3-dioxygenase. MedChem ExpressHY-15689
      Metabolic Enzyme/Protease; MedChem ExpressHY-15689
      OthersMedChem ExpressHY-15689

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 2. 0±0. 1 g/cm 3
Boiling Point: 672. 3±65. 0 °C at 760 mmHg
Vapour Pressure: 0. 0±2. 2 mmHg at 25°C
Enthalpy of Vaporization: 103. 7±3. 0 kJ/mol
Flash Point: 360. 4±34. 3 °C
Index of Refraction: 1. 742
Molar Refractivity: 87. 8±0. 5 cm 3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3. 92
ACD/LogD (pH 5. 5): 1. 99
ACD/BCF (pH 5. 5): 19. 27
ACD/KOC (pH 5. 5): 289. 16
ACD/LogD (pH 7. 4): 1. 99
ACD/BCF (pH 7. 4): 19. 26
ACD/KOC (pH 7. 4): 288. 98
Polar Surface Area: 176 Å 2
Polarizability: 34. 8±0. 5 10 -24 cm 3
Surface Tension: 77. 6±7. 0 dyne/cm
Molar Volume: 217. 3±7. 0 cm 3

Click to predict properties on the Chemicalize site

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