5,15-Diphenylporphyrin - ≥90% , CAS No.22112-89-6

CAS: 22112-89-6 Cat. No.: D123123 Peso molecular: 462.56 PubChem CID: 10895852

GRADE & PURITY ≥90%

Synonyms

BCP18710 | FT-0682574 | SCHEMBL2563180 | D2860 | 21H,23H-Porphine, 5,15-diphenyl- | AKOS025394541 | Stat3 Inhibitor VIII, 5,15-DPP | HY-W035137 | 5,15-Diphenylporphyrin | BDBM50396176 | J-014513 | A878709 | doi:10.14272/FNNOEKVUXXVPAI-DUVOQLPESA-N.1 | MFC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BCP18710 | FT-0682574 | SCHEMBL2563180 | D2860 | 21H, 23H-Porphine, 5, 15-diphenyl- | AKOS025394541 | Stat3 Inhibitor VIII, 5, 15-DPP | HY-W035137 | 5, 15-Diphenylporphyrin | BDBM50396176 | J-014513 | A878709 | doi:10.14272/FNNOEKVUXXVPAI-DUVOQLPESA-N.1 | MFC

Especificaciones y pureza

≥90%

Mecanismos bioquímicos y fisiológicos

Potent, selective, cell-permeable STAT3 inhibitor (K d = 880 nM). Inhibits STAT3 dimerization (IC 50 values are 0.28 and 10 μM for STAT3 SH2 domain-mediated ligand binding and STAT1 ligand binding, respectively). Blocks TRAIL-induced invasion.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Tipo de acción

ANTAGONIST

Nota

Solvents listed may be unsuitable for use in biological experiments. These solvents are intended to enable solubilisation and mixing of components. We recommend that biologically unsuitable solvents are removed prior to solubilisation in experimental media. Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)N3
• IUPAC Name: 10,20-diphenyl-21,22-dihydroporphyrin
• InChIKey: QIBKIAFNCVIIMG-UHFFFAOYSA-N
• INCHI: 1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,35H
• Isómeros SMILES: C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)N3
• WGK Alemania: 3
• PubChem CID: 10895852
• Peso molecular: 462.56
• Reaxy-Rn: 3020011

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: Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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

Objetivos asociados (humanos)

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Trypanosoma brucei brucei (13300 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Leishmania donovani (89745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 462.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 462.184 Da
• Monoisotopic Mass: 462.184 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 657.000
• 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