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Chemical Entities of Biological Interest Ontology
| Preferred Name | plerixafor | |
| Synonyms |
plerixaforum Mozobil SDZ SID 791 plerixafor JM3100 AMD3100 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) AMD 3100 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane JKL 169 AMD-3100 1,1'-(benzene-1,4-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane) |
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| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_125354 |
|
| charge |
0
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|
| database_cross_reference |
PMID:27575003 PMID:30776910 PMID:30290049 PMID:26600122 CAS:110078-46-1 KEGG:D08971 PMID:17324009 Wikipedia:Plerixafor PMID:18847313 Drug_Central:4410 PMID:26154069 PMID:29461034 PMID:7913308 PMID:28411174 DrugBank:DB06809 PMID:30422351 LINCS:LSM-36826 HMDB:HMDB0015681 PMID:30037618 PMID:26106388 PMID:24179472
|
|
| 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.
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|
| formula |
C28H54N8
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|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_145438 |
|
| has_exact_synonym |
1,1'-(benzene-1,4-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane)
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
plerixaforum Mozobil SDZ SID 791 plerixafor JM3100 AMD3100 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) AMD 3100 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane JKL 169 AMD-3100
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|
| id |
CHEBI:125354
|
|
| in_subset | ||
| 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
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|
| inchikey |
YIQPUIGJQJDJOS-UHFFFAOYSA-N
|
|
| label |
plerixafor
|
|
| mass |
502.796
|
|
| monoisotopicmass |
502.44714
|
|
| notation |
CHEBI:125354
|
|
| prefLabel |
plerixafor
|
|
| smiles |
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_52898 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_37411 http://purl.obolibrary.org/obo/CHEBI_22712 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_52898 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_37411 http://purl.obolibrary.org/obo/CHEBI_22712 |
| Delete | Subject | Author | Type | Created |
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