Protoporphyrin IX-Dimethylester - ≥95% , CAS No.5522-66-7

CAS: 5522-66-7 Cat. No.: P101397 Summenformel: C₃₆H₃₈N₄O₄ Molekulargewicht: 590.71 Beilstein Registry Number: 381574 EG-Nummer: 226-870-3 PubChem CID: 194637

GRADE & PURITY ≥95%

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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

löslich in DMSO, THF, Aceton, Chloroform, Diethylether, Ethylacetat und Methanol
Protoporphyrin IX-Dimethylester hat sich als wirksamer Photosensibilisator für das menschliche Nasopharynxkarzinom erwiesen

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504757776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757776

Kanonisches Lächeln

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

Isomere 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 Deutschland

3

PubChem CID

194637

Molekulargewicht

590.71

Beilstein

381574

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5522-66-7, the molecular formula is C36H38N4O4, and the molecular weight is 590.71 g/mol. InChIKey LQBPATQBTSBIIH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.