Pyrithioxin - ≥96% , CAS No.1098-97-1

CAS: 1098-97-1 Cat. No.: P349200 Summenformel: C₁₆H₂₀N₂O₄S₂ Molekulargewicht: 368.47 EG-Nummer: 214-150-1 PubChem CID: 14190

GRADE & PURITY ≥96%

Synonyms

Pyrithioxine (JAN) | P2250 | Pyrithioxine | Dipyridoxolyldisulfide | Piritinolo | Bonifen | SR-01000872772 | UNII-AK5Q5FZH2R | BRD-K82181219-001-01-9 | HMS3886M13 | s5141 | 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyldi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Pyrithioxine (JAN) | P2250 | Pyrithioxine | Dipyridoxolyldisulfide | Piritinolo | Bonifen | SR-01000872772 | UNII-AK5Q5FZH2R | BRD-K82181219-001-01-9 | HMS3886M13 | s5141 | 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyldi

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 488181951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181951
• Kanonisches Lächeln: CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C
• IUPAC Name: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
• InChIKey: SIXLXDIJGIWWFU-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
• Isomere SMILES: CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C
• PubChem CID: 14190
• Molekulargewicht: 368.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Hydroxypyridines Heteroaromatic compounds Dialkyldisulfides Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Methylpyridine - Heteroaromatic compound - Organic disulfide - Dialkyldisulfide - Azacycle - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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

Zugehörige Ziele (menschlich)

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Discover Target: VDR

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO
• Siedepunkt (°C): 742.8° C at 760 mmHg (Predicted)
• Molekulargewicht: 368.500 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 368.086 Da
• Monoisotopic Mass: 368.086 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 346.000
• 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