ChemSpider 2D Image | Canagliflozin | C24H25FO5S

Canagliflozin

  • Molecular FormulaC24H25FO5S
  • Average mass444.516 Da
  • Monoisotopic mass444.140686 Da
  • ChemSpider ID26333259
  • defined stereocentres - 5 of 5 defined stereocentres


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Featured data source



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

(1S)-1,5-Anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-{[5-(4-fluorophényl)-2-thiényl]méthyl}-4-méthylphényl)-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(3-{[5-(4-fluorphenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol [German] [ACD/IUPAC Name]
6S49DGR869
842133-18-0 [RN]
9225
Canagliflozin anhydrous
D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)- [ACD/Index Name]
JNJ 28431754
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

JNJ-28431754 [DBID]
TA-7284 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      A10BX11 Wikidata Q5030940
    • Chemical Class:

      A <element>C</element>-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. ChEBI CHEBI:73274
    • Drug Status:

      Approved BIONET-Key Organics KS-1443
    • Bio Activity:

      Canagliflozin(JNJ 28431754; TA 7284) is a highly potent and selective SGLT2 inhibitor for hSGLT2 with IC50 of 2.2 nM, exhibits 413-fold selectivity over hSGLT1. MedChem Express
      Canagliflozin(JNJ 28431754; TA 7284) is a highly potent and selective SGLT2 inhibitor for hSGLT2 with IC50 of 2.2 nM, exhibits 413-fold selectivity over hSGLT1.; IC50 value: 2.2 nM; Target: SGLT2; Canagliflozin(JNJ 24831754ZAE; JNJ 28431754; JNJ 28431754AAA; TA 7284) is an experimental drug being developed by Johnson & Johnson for the treatment of type 2 diabetes.Canagliflozin(JNJ 24831754ZAE; JNJ 28431754; JNJ 28431754AAA; TA 7284) is an inhibitor of subtype 2 sodium-glucose transport protein (SGLT2), which is responsible for at least 90% of the glucose reabsorption in the kidney. MedChem Express HY-10451
      Canagliflozin(JNJ 28431754; TA 7284) is a highly potent and selective SGLT2 inhibitor for hSGLT2 with IC50 of 2.2 nM, exhibits 413-fold selectivity over hSGLT1.;IC50 value: 2.2 nM;Target: SGLT2Canagliflozin(JNJ 24831754ZAE; JNJ 28431754; JNJ 28431754AAA; TA 7284) is an experimental drug being developed by Johnson & Johnson for the treatment of type 2 diabetes.Canagliflozin(JNJ 24831754ZAE; JNJ 28431754; JNJ 28431754AAA; TA 7284) is an inhibitor of subtype 2 sodium-glucose transport protein (SGLT2), which is responsible for at least 90% of the glucose reabsorption in the kidney. Blocking this transporter causes blood glucose to be eliminated through the urine. MedChem Express HY-10451
      Membrane Tranporter/Ion Channel MedChem Express HY-10451
      Membrane Tranporter/Ion Channel; MedChem Express HY-10451
      SGLT MedChem Express HY-10451

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.6±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.98
ACD/KOC (pH 5.5): 2608.19
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.98
ACD/KOC (pH 7.4): 2608.18
Polar Surface Area: 118 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 325.9±3.0 cm3

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