Protoporphyrin IX disodium salt - ≥90%(HPLC) , CAS No.50865-01-5

CAS: 50865-01-5 Cat. No.: P463193 Molecular Weight: 606.63 PubChem CID: 71484

GRADE & PURITY ≥90%(HPLC)

Synonyms

SCHEMBL349121 | Protoporphyrin Disodium Salt | P-7660 | PROTOPORPHYRIN IX DISODIUM [MART.] | protoporphyrin disodiumsalt | Disodium protoporphyrin IX;Protoporphyrin IX disodium salt | Chlorethaminacil | Protoporphyrin disodium [JAN] | 21H,23H-Porphine-2,1

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Description

Protoporphyrin disodium salt (PpIX) was used as a dye content for fluorescence spectroscopic characterization in a study. The cytotoxic effect of PpIX on sarcoma 180 solid tumors cells was reported in a study.

Specifications

Synonyms

SCHEMBL349121 | Protoporphyrin Disodium Salt | P-7660 | PROTOPORPHYRIN IX DISODIUM [MART.] | protoporphyrin disodiumsalt | Disodium protoporphyrin IX;Protoporphyrin IX disodium salt | Chlorethaminacil | Protoporphyrin disodium [JAN] | 21H, 23H-Porphine-2, 1

Specifications & Purity

≥90%(HPLC)

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%(HPLC)

Names and Identifiers

• Pubchem Sid: 504754628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754628
• Canonical Smiles: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]
• IUPAC Name: disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
• InChIKey: GPRXGEKBQVXWAQ-UHFFFAOYSA-L
• INCHI: 1S/C34H34N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);;/q;2*+1/p-2
• Isomeric SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]
• PubChem CID: 71484
• Molecular Weight: 606.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Dicarboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Carboxylic acid - Organic oxide - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Associated Targets(non-human)

Mus musculus (284745 Activities)

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Lewis lung carcinoma cell line (1243 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 606.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 606.222 Da
• Monoisotopic Mass: 606.222 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 995.000
• 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: 3

XLogP3

References

1. Pingping Li, Jing Song, Yizhong Shen, Youqiu He.  (2013)  Determination of Protoporphyrin IX Disodium Salt Based on Fluorescence Quenching of Glutathione-Capped Cadmium/Tellurium Quantum Dots.  SPECTROSCOPY LETTERS,      [PMID:] [10.1080/00387010.2013.766212]