ChemSpider 2D Image | Plerixafor | C28H54N8

Plerixafor

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

More details:

Featured data source
The Merck Index Online

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

1-({4-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane
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]
Mozobil [Trade name]
Plerixafor [INN] [USAN] [Wiki]
S915P5499N
More...

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

8513 [DBID]
AMD3100 [DBID]
AIDS025303 [DBID]
AIDS-025303 [DBID]
AIDS224013 [DBID]
AIDS-224013 [DBID]
AIDS224020 [DBID]
AIDS-224020 [DBID]
AMD 3100 [DBID]
AMD-3100 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      L03AX16 Wikidata Q905835

    • Target Organs:

      CXCR antagonist TargetMol T1776

    • Chemical Class:

      An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in co mbination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hod gkin's lymphoma and multiple myeloma. ChEBI CHEBI:125354

    • 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, version: 14.00

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