Compound: Plerixafor
SMILES: N1(CCNCCCNCCNCCC1)Cc2ccc(CN3CCNCCCNCCNCCC3)cc2
InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N
Synonyms: Plerixafor, 110078-46-1, Mozobil, AMD3100, Amd 3100, SDZ SID 791, plerixaforum, 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane, JKL 169, JM3100, S915P5499N, CHEBI:125354, DTXSID70869520, 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane, 1,4,8,11-Tetraazacyclotetradecane, 1,1'-(1,4-phenylenebis(methylene))bis-, 1,1'-(1,4-PHENYLENEBIS(METHYLENE))BIS-1,4,8,11-TETRAAZACYCLOTETRADECANE, 1-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane, mezobil, RPA bicyclam, 1-((4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl)methyl)-1,4,8,11-tetraazacyclotetradecane, 1-((4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl)methyl)-1,4,8,11-tetrazacyclotetradecane, RefChem:57592, DTXCID60817494, L03AX16, 1,1'-(1,4-Phenylenebis(methylene))-bis-1,4,8,11-tetraazacyclotetradecane, 1,1'-(1,4-phenylenebis-(methylene))-bis-1,4,8,11-tetraazacyclotetradecane, 1,1'-(1,4-phenylenebis(methylene))bis(1,4,8,11-tetraazacyclotetradecane)octahydrochloride dihydrate, 842-163-8, 1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene, bicyclam JM-2987, Plerixafor hydrochloride, AMD-3100, MFCD05662218, CHEMBL18442, C28H54N8, Plerixafor 8HCl, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane], plerixafor (amd3100), 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane), Mozobil (TN), Plerixafor [USAN], Plerixafor [USAN:INN:BAN], SID791, UNII-S915P5499N, GNA & AMD-3100, HHA & AMD-3100, VH6, JM 2987, Plerixafor (Standard), PLERIXAFOR [MI], PLERIXAFOR [INN], PLERIXAFOR [JAN], PLERIXAFOR [VANDF], PLERIXAFOR [MART.], Plerixafor (AMD3100)?, PLERIXAFOR [WHO-DD], SCHEMBL19038, GTPL844, Plerixafor (JAN/USAN/INN), PLERIXAFOR [EMA EPAR], orb1307465, PLERIXAFOR [ORANGE BOOK], AMD-3100 (CXCR4), YIQPUIGJQJDJOS-UHFFFAOYSA-N, GLXC-06682, EX-A1762, WZB81987, BDBM50035696, EBC-13587, HY-10046R, NSC754363, NSC761388, s8030, 1,1'-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}, AKOS005266706, CCG-269710, CS-0451, DB06809, FP36846, NSC-754363, NSC-761388, NCGC00165722-01, NCGC00165722-02, NCGC00165722-03, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] & Galanthus nivalis agglutinin (GNA), 1-({4-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane, AC-26837, AS-42504, HY-10046, SY042073, NS00004748, P2678, D08971, EN300-187119, AB01566900_01, L000104, Q905835, SR-01000941593, SR-01000941593-1, 11''''-xylyl bis-1,4,8,11-tetraazacyclotetradecane, BRD-K33240821-001-03-9, BRD-K33240821-001-05-4, BRD-K33240821-001-06-2, BRD-K33240821-367-01-8, BRD-K33240821-400-02-5, Z1889837352, 1,1''''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}, 1,1'-(benzene-1,4-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane), 1,1'[1,4-phenylene-bis-(methylene)]-bis-1,4,8,11-tetraazacyclotetradecane, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] & Hippeastrum hybrid agglutinin( HHA), 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane, 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O), 11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester
Theoretical properties:
molecular_formula: C28H54N8
molecular_weight: 502.8 g/mol
exact_mass: 502.44714376 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 4
heavy_atom_count: 36
topological_polar_surface_area: 78.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Slightly soluble
Descriptions:
pubchem: 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.
chebi: 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.
chembl: PLERIXAFOR is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Plerixafor, sold under the brand name Mozobil, is an immunostimulant used to mobilize hematopoietic stem cells in cancer patients into the bloodstream. The stem cells are then extracted from the blood and transplanted back to the patient. The drug was developed by AnorMED, which was subsequently bought by Genzyme.