ChemSpider 2D Image | ATB-346 | C21H19NO3S

ATB-346

  • Molecular FormulaC21H19NO3S
  • Average mass365.445 Da
  • Monoisotopic mass365.108551 Da
  • ChemSpider ID32490194

More details:

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

1226895-20-0 [RN]
2-(6-Méthoxy-2-naphtyl)propanoate de 4-carbamothioylphényle [French] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 4-(aminothioxomethyl)phenyl ester [ACD/Index Name]
3096O7WP53
4-Carbamothioylphenyl 2-(6-methoxy-2-naphthyl)propanoate [ACD/IUPAC Name]
4-Carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate
4-Carbamothioylphenyl-2-(6-methoxy-2-naphthyl)propanoat [German] [ACD/IUPAC Name]
ATB-346
ATB-346, (R)-
ATB-346, (S)-
More...

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

3F3MY9G813 [DBID]
PubChem Substance ID 329825761 [DBID]
V44GCU5P5O [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      COX inhibitor TargetMol T1867

    • Bio Activity:

      ATB-346 is a novel hydrogen sulphide-releasing derivative of naproxen with markedly reduced toxicity. MedChem Express
      ATB-346 is a novel hydrogen sulphide-releasing derivative of naproxen with markedly reduced toxicity.; IC50 value:; Target: COX-2 ; ATB-346 suppressed gastric prostaglandin E(2) synthesis as effectively as naproxen, but produced negligible damage in the stomach and intestine, Unlike naproxen and celecoxib, ATB-346 accelerated healing of pre-existing gastric ulcers. MedChem Express HY-15028
      ATB-346 is a novel hydrogen sulphide-releasing derivative of naproxen with markedly reduced toxicity.;IC50 value:;Target: COX-2 ATB-346 suppressed gastric prostaglandin E(2) synthesis as effectively as naproxen, but produced negligible damage in the stomach and intestine, Unlike naproxen and celecoxib, ATB-346 accelerated healing of pre-existing gastric ulcers. In a mouse airpouch model, ATB-346 suppressed cyclooxygenase-2 activity and inhibited leukocyte infiltration more effectively than naproxen. ATB-346 was as effective as naproxen in adjuvant-induced arthritis in rats, with a more rapid onset of activity. Unlike naproxen, ATB-346 did not elevate blood pressure in hypertensive rats [1]. Treatement with ATB-346 exhibited a significantly more rapid and sustained recovery of motor function, achieving greater than double the increase in locomotion score of the naproxen group by the 10th day of treatment. ATB-346 also significantly reduced the severity of inflammation (proinflammat MedChem Express HY-15028
      COX MedChem Express HY-15028
      COX-2 TargetMol T1867
      Immunology/Inflammation MedChem Express HY-15028
      Immunology/Inflammation; MedChem Express HY-15028
      Neuroscience TargetMol T1867

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

Density: 1.3±0.1 g/cm3
Boiling Point: 561.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1258.46
ACD/KOC (pH 5.5): 5760.47
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1258.51
ACD/KOC (pH 7.4): 5760.69
Polar Surface Area: 94 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 289.7±3.0 cm3

Click to predict properties on the Chemicalize site


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