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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)
ChEBI ID CHEBI:78039
ChEBI ASCII Name meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)
Definition An organosulfonate salt that is the tetrakis(p-toluenesulfonate) salt of meso-tetrakis(N-methyl-4-pyridyl)porphine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C72H66N8O12S4
Net Charge 0
Average Mass 1363.60100
Monoisotopic Mass 1362.36830
InChI InChI=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-;;;;
InChIKey AKZFRMNXBLFDNN-GVHKZQBISA-K
SMILES Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2
Roles Classification
Biological Role(s): 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.
Application(s): angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine tetrakis(p-toluenesulfonate) ChEBI
meso-tetrakis(N-methyl-4-pyridyl)porphine tetratosylate salt ChEBI
TMPyP4 tetratosylate ChEBI
TMPyP4 tosylate ChEBI
Registry Numbers Types Sources
36951-72-1 CAS Registry Number ChemIDplus
5237096 Reaxys Registry Number Reaxys
Last Modified
02 April 2014