ChemSpider 2D Image | Brincidofovir | C27H52N3O7P

Brincidofovir

  • Molecular FormulaC27H52N3O7P
  • Average mass561.691 Da
  • Monoisotopic mass561.354309 Da
  • ChemSpider ID424003
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

({(1S)-1-[(4-amino-2-oxopirimidin-1(2H)-il)metil]- 2-hidroxietoxi}metil)hidrógenofosfonato de 3-(hexadeciloxi)propilo [Spanish]
3-(Hexadecyloxy)propyl hydrogen ({[(2S)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxy-2-propanyl]oxy}methyl)phosphonate [ACD/IUPAC Name]
3-(hexadecyloxy)propyl hydrogen ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonate
3-(Hexadecyloxy)propyl-hydrogen({[(2S)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxy-2-propanyl]oxy}methyl)phosphonat [German] [ACD/IUPAC Name]
444805-28-1 [RN]
9853
brincidofovir [Spanish] [INN]
brincidofovir [French] [INN]
Brincidofovir [USAN] [Wiki]
brincidofovirum [Latin] [INN]
More...

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

6794O900AX [DBID]
AIDS104906 [DBID]
AIDS-104906 [DBID]
UNII:6794O900AX [DBID]
UNII-6794O900AX [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-14532
      Anti-infection; MedChem Express HY-14532
      CMV MedChem Express HY-14532
      CMX001 (Brincidofovir; HDP-CDV) was developed as an orally active, lipophilic form of cidofovir (CDV); has enhanced activity in vitro and in vivo compared to CDV against certain herpesviruses, adenoviruses and orthopoxviruses.; IC50 Value: 5.5 nM (EC50, in PDA at 7 dpi) [3]; Target: anti-CMV; CMX001 is currently in Phase II clinical studies for development as a therapeutic agent for human CMV, adenovirus and BK virus infections, as well as, for adverse events following smallpox vaccinations.; in vitro: In PDA at 7 dpi, the CMX001 50% effective concentration (EC50) was 5.55 nM, the 50% cytotoxic concentration (CC50) was 184.6 nM, and the 50% selectivity index (SI50) was 33.3. MedChem Express HY-14532

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 370.2±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 154 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 478.5±7.0 cm3

Click to predict properties on the Chemicalize site





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