Molecular Identity
Plerixafor
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
PubChem CID: 65015
Plerixafor is 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 combination 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-Hodgkin's lymphoma and multiple myeloma. It has a role as a C-X-C chemokine receptor type 4 antagonist, an antineoplastic agent, an immunological adjuvant and an anti-HIV agent. It is a member of benzenes, a crown amine, an azacycloalkane, a secondary amino compound, a tertiary amino compound and an azamacrocycle. It is functionally related to a 1,4,8,11-tetraazacyclotetradecane.
2D Structure
Properties
C28H54N8
Molecular Formula
502.80
Molecular Weight
g/mol
502.4471
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
78.7
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
8
H-Bond Acceptors
456
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Plerixafor110078-46-1MozobilAMD3100Amd 3100SDZ SID 791plerixaforum1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecaneJKL 169JM3100S915P5499NCHEBI:125354DTXSID708695201-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Plerixafor
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