Thiamiprine(BW 57-323) - Moligand™, ≥98% , CAS No.5581-52-2

CAS: 5581-52-2 Cat. No.: T345866 Fórmula: C₉H₈N₈O₂S Peso molecular: 292.28 Número EC: 226-977-5 PubChem CID: 3379405

GRADE & PURITY Moligand™, ≥98%

Synonyms

F20763 | ITG | {2-Amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]purine} | AKOS040744608 | BW 57-323H | D06105 | Tiamiprina | Tiamiprine [INN] | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)-thio)- | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imid

Storage

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

Shipped In

Wet ice

Descripción general

Thiamiprine is a compound related to azathioprine. Its nucleoside forms are similar to the parent compound in terms of cytotoxicity in vitro (except for the arabinoside). In the rat adjuvant arthritis model in vivo, its riboside and 2'-deoxyriboside are less active than the parent compound. The arabinoside is inactive and nontoxic. It has similar potency to the other parent compounds tested, but has a different safety profile.

Specifications

Sinónimos

F20763 | ITG | {2-Amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]purine} | AKOS040744608 | BW 57-323H | D06105 | Tiamiprina | Tiamiprine [INN] | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)-thio)- | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imid

Especificaciones y pureza

Moligand™, ≥98%

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.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]
• IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine
• InChIKey: YFTWHEBLORWGNI-UHFFFAOYSA-N
• INCHI: 1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)
• Isómeros SMILES: CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]
• PubChem CID: 3379405
• Peso molecular: 292.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: 6-thiopurines Nitroimidazoles Nitroaromatic compounds Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - 6-thiopurine - Imidazopyrimidine - Purine - Nitroaromatic compound - Nitroimidazole - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Primary amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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)

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): >264° C (dec.)
• Peso molecular: 292.280 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 292.049 Da
• Monoisotopic Mass: 292.049 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 381.000
• 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