Protoporphyrin IX dimethyl ester - ≥90%(HPLC) , CAS No.5522-66-7

CAS: 5522-66-7 Cat. No.: P298562 Peso molecular: 590.71 Beilstein Registry Number: 381574 Número EC: 226-870-3 PubChem CID: 194637

GRADE & PURITY ≥90%(HPLC)

Synonyms

SCHEMBL498561 | WASRLAPXOHTNAX-MFBGAUBSSA-N | Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate | SCHEMBL13879285 | 7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid, dimethyl ester | STL578324 | meth

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

soluble in DMSO,THF,acetone,chloroform,diethyl ether,ethyl acetate and methanol
Protoporphyrin IX dimethyl ester has been demonstrated to a potent photosensitizer of human nasopharyngeal carcinoma

Specifications

Sinónimos

SCHEMBL498561 | WASRLAPXOHTNAX-MFBGAUBSSA-N | Dimethyl 8, 13-divinyl-3, 7, 12, 17-tetramethyl-21H, 23H-porphine-2, 18-dipropionate | SCHEMBL13879285 | 7, 12-Diethenyl-3, 8, 13, 17-tetramethyl-21H, 23H-porphine-2, 18-dipropanoic acid, dimethyl ester | STL578324 | meth

Especificaciones y pureza

≥90%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C
• IUPAC Name: methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
• InChIKey: LQBPATQBTSBIIH-UHFFFAOYSA-N
• INCHI: 1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3
• Isómeros SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C
• WGK Alemania: 3
• PubChem CID: 194637
• Peso molecular: 590.71
• Beilstein: 381574

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrapyrroles and derivatives
      • Subclass Porphyrins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Fatty acid esters Substituted pyrroles Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Fatty acid ester - Fatty acyl - Substituted pyrrole - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light & Air sensitive
• Peso molecular: 590.700 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 590.289 Da
• Monoisotopic Mass: 590.289 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1040.000
• 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

Referencias

1. Jing-Lan Kan, Fan-Hong Lv, Wen-Xiu Ren, Qun Guan, Anqi Xue, Jie Feng, Yu-Bin Dong.  (2025)  MOF-based nanoagent for self-illuminating photodynamic therapy.  Biomaterials Science,      [PMID:40827610] [10.1039/D5BM00963D]