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Plerixafor-[13C6] Hydrochloride

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General Information
Catalog: BLP-003852
Molecular Formula: C22[13C]6H62Cl8N8
Molecular Weight: 800.42

Chemical Structure

Description	Plerixafor-[13C6] Hydrochloride, 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. Plerixafor is an immunostimulant used to mobilize hematopoietic stem cells in cancer patients into the bloodstream.
Synonyms	[13C6]-1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride; Plerixafor 13C6 Hydrochloride
IUPAC Name	1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride
Related CAS	155148-31-5 (unlabelled)
Canonical SMILES	C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
InChI	InChI=1S/C28H54N8.8ClH/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;8*1H/i5+1,6+1,7+1,8+1,27+1,28+1;;;;;;;;
InChI Key	UEUPDYPUTTUXLJ-FDAYILJKSA-N
Purity	>98%