Mthpc , Photosensitizer, CAS No.136106195, Photosensitizer

CAS: 136106195 Cat. No.: M671351 Molecular Weight: 680.7

Synonyms

MTHPC | BDBM50542240 | CHEMBL383675 | EF-9

Storage

Room temperature

Specifications

Synonyms

MTHPC | BDBM50542240 | CHEMBL383675 | EF-9

Storage

Room temperature

Mechanism of action

Photosensitizer

Product Properties

• ALogP: 8.8

Names and Identifiers

• Canonical Smiles: C1CC2=NC1=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C=C3)C9=CC(=CC=C9)O
• IUPAC Name: 3-[10,15,20-tris(3-hydroxyphenyl)-2,3,23,24-tetrahydroporphyrin-5-yl]phenol
• InChIKey: KSXLETNRCMCRAQ-UHFFFAOYSA-N
• INCHI: 1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,45-46,49-52H,18,20H2
• Isomeric SMILES: C1CC2=NC1=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C=C3)C9=CC(=CC=C9)O
• Molecular Weight: 680.7
• Reaxy-Rn: 47505738
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47505738&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrapyrroles and derivatives
      • Subclass Chlorins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Chlorins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorins
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chlorin - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HL-60 (67320 Activities)

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ECa-109 cell line (1254 Activities)

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HCT-116 (91556 Activities)

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HeLa (62764 Activities)

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Associated Targets(non-human)

4T1 (1737 Activities)

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Genome polyprotein (620 Activities)

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Mechanisms of Action