Temoporfin - ≥97% , CAS No.122341-38-2

CAS: 122341-38-2 Cat. No.: T648930 Summenformel: C₄₄H₃₂N₄O₄ Molekulargewicht: 680.75 EG-Nummer: 624-374-5 PubChem CID: 60751

QUALITÄT & REINHEIT ≥97%

Synonyms

3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol | A50001 | NCGC00183280-01 | TEMOPORFIN [EMA EPAR] | AS-73700 | meso-Tetrahydroxyphenylchlorin | Meso-tetra-(hydroxyphenyl)chlorin | TEMOPORFIN [USAN] | 3,3',3'',3'''-(7,8-Dihydro

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Temoporfin (m-THPC), a reduced porphyrin, is a potent second-generation photosensitizer. Temoporfin can be used in the research of photodynamic therapy (PDT) for head and neck cancers .

In Vitro

A detailed confocal fluorescence microscopy study of a human adenocarcinoma shows weak localization of Temoporfin in lysosomes and mitochondria. Instead, it is found to be localized in the endoplasmic reticulum (ER) and the Golgi apparatus. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Temoporfin in liver tissue decreases rapidly in time after initial high levels at 4 h after administration (0.1-0.3 mg/kg). In tumour tissue no decrease in photosensitizer levels occurred, with Temoporfin remaining high up to 48 h after administration. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Spezifikationen

Synonyme

3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol | A50001 | NCGC00183280-01 | TEMOPORFIN [EMA EPAR] | AS-73700 | meso-Tetrahydroxyphenylchlorin | Meso-tetra-(hydroxyphenyl)chlorin | TEMOPORFIN [USAN] | 3,3',3'',3'''-(7,8-Dihydro

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

Temoporfin (m-THPC), a reduced porphyrin, is a potent second-generation photosensitizer. Temoporfin can be used in the research of photodynamic therapy (PDT) for head and neck cancers.

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O

IUPAC Name

3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol

InChIKey

LYPFDBRUNKHDGX-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/h1-17,19,21-24,46-47,49-52H,18,20H2

Isomere SMILES

C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O

PubChem CID

60751

Molekulargewicht

680.75

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 Organopnictogen 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 - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 20.83 mg/mL (30.60 mM; ultrasonic and warming and heat to 60°C)
• Molekulargewicht: 680.700 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 680.242 Da
• Monoisotopic Mass: 680.242 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1