ChemSpider 2D Image | Plerixafor | C28H54N8

Plerixafor

  • Molecular FormulaC28H54N8
  • Average mass502.782 Da
  • Monoisotopic mass502.447144 Da
  • ChemSpider ID58531

More details:



Featured data source



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

1,1'-(1,4-Phenylendimethylen)bis(1,4,8,11-tetraazacyclotetradecan) [German] [ACD/IUPAC Name]
1,1'-(1,4-Phénylènediméthylène)bis(1,4,8,11-tétraazacyclotétradécane) [French] [ACD/IUPAC Name]
1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) [ACD/IUPAC Name]
1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]
1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,4-phenylenebis(methylene)]bis- [ACD/Index Name]
110078-46-1 [RN]
8513
Mozobil [Trade name]
S915P5499N
More...

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

AMD3100 [DBID]
AIDS025303 [DBID]
AIDS-025303 [DBID]
AIDS224013 [DBID]
AIDS-224013 [DBID]
AIDS224020 [DBID]
AIDS-224020 [DBID]
AMD 3100 [DBID]
AMD-3100 [DBID]
CCRIS 4693 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-32187]
    • Safety:

      20/21/22 Novochemy [NC-32187]
      20/21/36/37/39 Novochemy [NC-32187]
      GHS07; GHS09 Novochemy [NC-32187]
      H304; H403 Novochemy [NC-32187]
      IRRITANT Matrix Scientific 097330
      L03AX16 Wikidata Q905835
      P332+P313; P305+P351+P338 Novochemy [NC-32187]
      R22 Novochemy [NC-32187]
      Warning Novochemy [NC-32187]
    • Target Organs:

      CXCR antagonist TargetMol T1776
    • Bio Activity:

      CXCR MedChem Express HY-10046
      CXCR TargetMol T1776
      GPCR/G protein MedChem Express HY-10046
      GPCR/G Protein TargetMol T1776
      GPCR/G protein; Immunology/Inflammation; MedChem Express HY-10046
      Plerixafor is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively. MedChem Express
      Plerixafor is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively.; IC50 value: 44 nM (CXCR4); 5.7 nM (CXCL12-mediated chemotaxis); Target: CXCR4; in vitro: Plerixafor inhibits CXCL12-mediated chemotaxis with a potency lightly better than its affinity for CXCR4. MedChem Express HY-10046
      Plerixafor is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively.;IC50 value: 44 nM (CXCR4); 5.7 nM (CXCL12-mediated chemotaxis);Target: CXCR4;In vitro: Plerixafor inhibits CXCL12-mediated chemotaxis with a potency lightly better than its affinity for CXCR4. Plerixafor also antagonizes SDF-1/CXCL12 ligand binding with an IC50 of 651 nM. Plerixafor inhibits SDF-1 mediated GTP-binding, SDF-1 mediated calcium flux and SDF-1 stimulated chemotaxis with IC50 of 27 nM, 572 nM and 51 nM, respectively. Plerixafor does not inhibit calcium flux against cells expressing CXCR3, CCR1, CCR2b, CCR4, CCR5 or CCR7 when stimulated with their cognate ligands, nor does Plerixafor inhibit receptor binding of LTB4. Plerixafor does not, on its own, induce a calcium flux in the CCRF?CEM cells, which express multiple GPCRs including CXCR4, CCR4 and CCR7.;In vivo: A single topical application of Plerixafor promotes wound healing in diabetic m MedChem Express HY-10046

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

Density: 1.0±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 361.8±26.2 °C
Index of Refraction: 1.492
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 522.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement