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Plerixafor-[d4]

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General Information
Catalog: BLP-012526
CAS: 1246819-87-3
Molecular Formula: C28H50D4N8
Molecular Weight: 506.81

Chemical Structure

Description	Plerixafor-[d4] is the labelled analogue of Plerixafor, which is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5. 7 nM, respectively.
Synonyms	Plerixafor D4; 1,1'-[(2H4)-1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)
IUPAC Name	1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
Related CAS	110078-46-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1CN2CCCNCCNCCCNCC2)[2H])[2H])CN3CCCNCCNCCCNCC3)[2H]
Canonical SMILES	C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
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/i5D,6D,7D,8D
InChI Key	YIQPUIGJQJDJOS-KDWZCNHSSA-N
Boiling Point	657.5±55.0 °C at 760 mmHg
Melting Point	127-129°C
Purity	95% by HPLC; 95% atom D
Density	1.0±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C, under inert atmosphere