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CHEBI:37447 - meso-tetrakis(N-methyl-4-pyridyl)porphine(4+)

Default Structure
ChEBI IDCHEBI:37447
ChEBI Namemeso-tetrakis(N-methyl-4-pyridyl)porphine(4+)
Stars
ASCII Namemeso-tetrakis(N-methyl-4-pyridyl)porphine(4+)
DefinitionAn organic cation that is porphyrin bearing four 1-methylpyridinium-4-yl groups at the 5-, 10-, 15- and 20-positions.
Secondary ChEBI IDCHEBI:78041
Last Modified2 April 2014
SubmitterKirill Degtyarenko, Steve
DownloadsMolfile
FormulaC44H38N8
Net Charge+4
Average Mass678.844
Monoisotopic Mass678.31975
SMILESC[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3nc(c(-c4cc[n+](C)cc4)c4ccc(n4)c(-c4cc[n+](C)cc4)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyABCGFHPGHXSVKI-LWQDQPMZSA-O
Roles Classification
Biological Role:
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor  A DNA polymerase inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need in order to reproduce.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
photosensitizing agent  A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447) has parent hydride porphyrin (CHEBI:8337)
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447) has role angiogenesis inhibitor (CHEBI:48422)
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447) has role antineoplastic agent (CHEBI:35610)
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447) has role EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor (CHEBI:59897)
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447) has role photosensitizing agent (CHEBI:47868)
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447) is a organic cation (CHEBI:25697)
Incoming Relation(s)
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) (CHEBI:78039) has part meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) (CHEBI:37447)
IUPAC Names 
4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium)
5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrin
Synonyms  Source
(4,4',4'',4'''-(21H,23H)-Porphine-5,10,15,20-tetrayl)tetrakis(1-methylpyridinium)ChemIDplus
5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrinChEBI
5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphineChEBI
meso-tetrakis(N-methyl-4-pyridyl)porphineChEBI
meso-Tetra(4-N-methylpyridyl)porphineChemIDplus
Mesotetra(4-N-methylpyridyl)porphineChemIDplus
Registry NumbersSources
Reaxys:3586693Reaxys
Gmelin:87183Gmelin
CAS:38673-65-3ChemIDplus
Citations