ChemSpider 2D Image | Ozanimod | C23H24N4O3

Ozanimod

  • Molecular FormulaC23H24N4O3
  • Average mass404.462 Da
  • Monoisotopic mass404.184845 Da
  • ChemSpider ID34979946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1306760-87-1 [RN]
5-(3-{(1S)-1-[(2-Hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl}-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitril [German] [ACD/IUPAC Name]
5-(3-{(1S)-1-[(2-Hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl}-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile [ACD/IUPAC Name]
5-(3-{(1S)-1-[(2-Hydroxyéthyl)amino]-2,3-dihydro-1H-indén-4-yl}-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile [French] [ACD/IUPAC Name]
5-{3-[(1S)-1-[(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl}-2-(propan-2-yloxy)benzonitrile
Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)- [ACD/Index Name]
ozanimod [Spanish] [INN]
ozanimod [French] [INN]
Ozanimod [INN] [USAN] [Wiki]
ozanimodum [Latin] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      GPCR/G protein; MedChem Express HY-12288
      LPL Receptor MedChem Express HY-12288
      Ozanimod is a novel, oral, once daily, selective sphingosine 1-phosphate 1 and 5 receptor modulator in development for autoimmune indications including relapsing multiple sclerosis (RMS) and ulcerativ e colitis (UC). MedChem Express
      Ozanimod is a novel, oral, once daily, selective sphingosine 1-phosphate 1 and 5 receptor modulator in development for autoimmune indications including relapsing multiple sclerosis (RMS) and ulcerative colitis (UC).;Target: sphingosine 1-phosphate 1 and 5 receptorOzanimod represents a potential franchise in immunology. Ozanimod is the potential next-to-market oral agent for the treatment of relapsing multiple sclerosis. In a Phase 2 trial in patients with RMS, Ozanimod achieved the primary endpoint of reduction in MRI brain lesion activity as well as secondary endpoints measuring effects on other MRI parameters. The overall safety profile of Ozanimod is consistent with the results of prior trials and continues to demonstrate differentiation against other oral agents for treatment of RMS. Ozanimod is also being studied in inflammatory bowel disease (IBD). The TOUCHSTONE Phase 2 trial of Ozanimod in UC met its primary endpoint and all secondary endpoints with statistical significance MedChem Express HY-12288

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

Density: 1.3±0.1 g/cm3
Boiling Point: 648.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.11
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 35.74
ACD/KOC (pH 7.4): 243.56
Polar Surface Area: 104 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 309.2±5.0 cm3

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