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Chemical structure of Plerixafor 8HCl (AMD3100 8HCl)

GC17949

Plerixafor 8HCl (AMD3100 8HCl)

Also known as 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride

Plerixafor 8HCl (AMD3100 8HCl) (AMD3100 octahydrochloride) is a selective CXCR4 antagonist with an IC50 of 44 nM

ChemicalCAS155148-31-5MW794.47FormulaC28H62Cl8N8
CAS number
155148-31-5
Molecular weight
794.47
Formula
C28H62Cl8N8
Solubility
≥ 155·4mg/mL in Water
InChIKey
UEUPDYPUTTUXLJ-UHFFFAOYSA-N
Catalogue number
GC17949
Brand
GLPBIO
Computed properties PubChem CID 65014 · TPSA 78.7 Ų · H-bond donors 14 · H-bond acceptors 8
TPSA
78.7 Ų
H-bond donors
14
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
44

SMILES C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl

Computed descriptors from PubChem (CID 65014), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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