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Plerixafor (AMD3100, JM 3100, SID791) is a chemokine receptor antagonist that acts on CXCR4 and CXCl12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively, in cell-free tests. Plerixafor inhibits human immunodeficiency virus (HIV) replication.
Brand: BCM
Melting Point: 122-125°C
Target: 125I-CXCL12-CXCR4:44 nM (IC50);125I-CXCL12-CXCR7;HIV-1:1-10 nM (EC50);HIV-2:1-10 nM (EC50)
pKa: 10.60±0.20(Predicted)
Solubility: Soluble in Ethanol; soluble in Water (warmed with 50ºC water bath). Insoluble in DMSO.
GHS: GHS07
Isomeric SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N
InChI: InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
Attribute [CAS No.] 110078-46-1 [Molecular] 502.78 [MDL No.] MFCD05662218 [Chem Name] 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane [Synonym] Plerixafor [Formula] C28H54N8 [Storage] Keep in dark place. Inert atmosphere, 2-8°C [EINECS] 1592732-453-0 [Form] White to Pale Beige Solid
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