ChemSpider 2D Image | Edoxaban | C24H30ClN7O4S

Edoxaban

  • Molecular FormulaC24H30ClN7O4S
  • Average mass548.057 Da
  • Monoisotopic mass547.176880 Da
  • ChemSpider ID8456212
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



Featured data source



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

480449-70-5 [RN]
8982
edoxabán [Spanish] [INN]
édoxaban [French] [INN]
edoxabanum [Latin] [INN]
Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]- [ACD/Index Name]
Lixiana [Trade name]
N-(5-Chlor-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethandiamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DU-176 [DBID]
DU-176b [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 098152
    • Chemical Class:

      A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. ChEBI CHEBI:85973
    • Bio Activity:

      Edoxaban(DU-176) is an oral factor Xa (FXa) inhibitor in clinical development for stroke prevention MedChem Express
      Edoxaban(DU-176) is an oral factor Xa (FXa) inhibitor in clinical development for stroke prevention; IC50 Value:; Target: factor Xa; Edoxaban is an oral factor Xa (FXa) inhibitor in clinical development for stroke prevention in patients with atrial fibrillation, an elderly population that frequently receives aspirin (ASA) and/or nonsteroidal anti-inflammatory drugs for concurrent illnesses[1].; in vitro: Edoxaban PK was not affected by concomitant low-dose ASA or naproxen, but high-dose ASA increased systemic exposure of edoxaban by approximately 30%. MedChem Express HY-10264
      Edoxaban(DU-176) is an oral factor Xa (FXa) inhibitor in clinical development for stroke prevention;IC50 Value:;Target: factor XaEdoxaban is an oral factor Xa (FXa) inhibitor in clinical development for stroke prevention in patients with atrial fibrillation, an elderly population that frequently receives aspirin (ASA) and/or nonsteroidal anti-inflammatory drugs for concurrent illnesses[1].;In vitro: Edoxaban PK was not affected by concomitant low-dose ASA or naproxen, but high-dose ASA increased systemic exposure of edoxaban by approximately 30%. The effects of edoxaban on prothrombin time, activated partial thromboplastin time, international normalized ratio, anti-FXa, and intrinsic FXa activity were not influenced by administration with ASA or naproxen. Inhibition of platelet aggregation by high-dose ASA, low-dose ASA, or naproxen was not affected by edoxaban[1].;In vivo: Forty-eight subjects, aged 18 to 45 years, received either edoxaban 60 mg once daily ? 7 days (n = 24) or MedChem Express HY-10264
      Factor Xa MedChem Express HY-10264
      Metabolism/Protease MedChem Express HY-10264
      Metabolism/Protease; MedChem Express HY-10264

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.23
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.04
ACD/KOC (pH 7.4): 90.61
Polar Surface Area: 165 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

Click to predict properties on the Chemicalize site





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