EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Default Structure
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:
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 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
meso-tetrakis(N-methyl-4-pyridyl)porphine tetratosylate saltChEBI
TMPyP4 tetratosylateChEBI
TMPyP4 tosylateChEBI
Registry NumbersSources
Reaxys:5237096Reaxys
CAS:36951-72-1ChemIDplus