plerixafor (CHEBI:125354)

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CHEBI:125354 - plerixafor

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ChEBI ID	CHEBI:125354
ChEBI Name	plerixafor
Stars
Definition	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.
Last Modified	20 November 2019
Downloads	Molfile

Formula	C28H54N8
Net Charge	0
Average Mass	502.796
Monoisotopic Mass	502.44714
SMILES	c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
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
InChIKey	YIQPUIGJQJDJOS-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. C-X-C chemokine receptor type 4 antagonist An antogonist that blocks C-X-C chemokine receptor type 4 (CXCR-4). immunological adjuvant A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.
Applications:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunological adjuvant A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.

ChEBI Ontology

Outgoing Relation(s)
	plerixafor (CHEBI:125354) has functional parent 1,4,8,11-tetraazacyclotetradecane (CHEBI:37401)
	plerixafor (CHEBI:125354) has role anti-HIV agent (CHEBI:64946)
	plerixafor (CHEBI:125354) has role antineoplastic agent (CHEBI:35610)
	plerixafor (CHEBI:125354) has role C-X-C chemokine receptor type 4 antagonist (CHEBI:145438)
	plerixafor (CHEBI:125354) has role immunological adjuvant (CHEBI:50847)
	plerixafor (CHEBI:125354) is a azacycloalkane (CHEBI:37949)
	plerixafor (CHEBI:125354) is a azamacrocycle (CHEBI:52898)
	plerixafor (CHEBI:125354) is a benzenes (CHEBI:22712)
	plerixafor (CHEBI:125354) is a crown amine (CHEBI:37411)
	plerixafor (CHEBI:125354) is a secondary amino compound (CHEBI:50995)
	plerixafor (CHEBI:125354) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
1,1'-(benzene-1,4-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane)

INNs	Source
plerixaforum	WHO MedNet
plérixafor	WHO MedNet
plerixafor	WHO MedNet
plerixafor	WHO MedNet

Synonyms	Source
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane	ChEBI
AMD-3100	DrugBank
AMD3100	DrugBank
1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)	IUPAC
AMD 3100	ChEBI
JM3100	ChEBI

Brand Name	Source
Mozobil	KEGG DRUG

Manual Xrefs	Databases
LSM-36826	LINCS
4410	DrugCentral
HMDB0015681	HMDB
DB06809	DrugBank
D08971	KEGG DRUG
Plerixafor	Wikipedia

Registry Numbers	Sources
CAS:110078-46-1	ChemIDplus

Citations