ChemSpider 2D Image | Fostemsavir | C25H26N7O8P

Fostemsavir

  • Molecular FormulaC25H26N7O8P
  • Average mass583.490 Da
  • Monoisotopic mass583.158020 Da
  • ChemSpider ID9494181

More details:






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

{3-[(4-Benzoyl-1-piperazinyl)(oxo)acetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methyl dihydrogen phosphate [ACD/IUPAC Name]
{3-[(4-Benzoyl-1-piperazinyl)(oxo)acetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione
1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]- [ACD/Index Name]
10292
864953-29-7 [RN]
Dihydrogénophosphate de {3-[2-(4-benzoyl-1-pipérazinyl)-2-oxoacétyl]-4-méthoxy-7-(3-méthyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}méthyle [French] [ACD/IUPAC Name]
fostemsavir [French] [INN]
fostemsavir [Italian] [INN]
fostemsavir [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

97IQ273H4L [DBID]
BMS-663068 [DBID]
GSK3684934 [DBID]
UNII:97IQ273H4L [DBID]
UNII-97IQ273H4L [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-15440A
      Anti-infection; MedChem Express HY-15440A
      BMS-663068 is an HIV-1 attachment inhibitor in development for the treatment of HIV-1 infection. MedChem Express http://www.medchemexpress.com/gdc-0834.html, HY-15440A
      BMS-663068 is an HIV-1 attachment inhibitor in development for the treatment of HIV-1 infection. ;IC50 Value: ;Target: HIVBMS-663068 is a prodrug for BMS-626529 which binds to the viral envelope glycoprotein gp120 and interferes with attachment of the virus to the cellular CD4 receptor. Administration of BMS-663068 for 8 days with or without ritonavir resulted in substantial declines in plasma HIV-1 RNA levels and was generally well tolerated. Longer-term clinical trials of BMS-663068 as part of combination antiretroviral therapy are warranted. MedChem Express HY-15440A
      HIV MedChem Express HY-15440A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 904.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 500.6±37.1 °C
Index of Refraction: 1.723
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -5.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 74.7±7.0 dyne/cm
Molar Volume: 364.3±7.0 cm3

Click to predict properties on the Chemicalize site






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