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CHEBI:78039 - meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)

ChEBI IDCHEBI:78039
ChEBI Namemeso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)
Stars
ASCII Namemeso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)
DefinitionAn organosulfonate salt that is the tetrakis(p-toluenesulfonate) salt of meso-tetrakis(N-methyl-4-pyridyl)porphine.
Last Modified2 April 2014
SubmitterSteve
DownloadsMolfile
FormulaC44H38N8.4C7H7O3S
Net Charge0
Average Mass1363.632
Monoisotopic Mass1362.36830
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.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1
InChIInChI=1S/C44H37N8.4C7H8O3S/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;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;
InChIKeyAKZFRMNXBLFDNN-GVHKZQBISA-K
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing 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)
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) (CHEBI:78039) has role angiogenesis inhibitor (CHEBI:48422)
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) (CHEBI:78039) has role antineoplastic agent (CHEBI:35610)
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) (CHEBI:78039) has role EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor (CHEBI:59897)
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) (CHEBI:78039) has role photosensitizing agent (CHEBI:47868)
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) (CHEBI:78039) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate)
Synonyms  Source
5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine tetrakis(p-toluenesulfonate)ChEBI
TMPyP4 tetratosylateChEBI
TMPyP4 tosylateChEBI
meso-tetrakis(N-methyl-4-pyridyl)porphine tetratosylate saltChEBI
Registry NumbersSources
Reaxys:5237096Reaxys
CAS:36951-72-1ChemIDplus