Tafamidis meglumine - ≥99% , Transthyretin stabiliser, CAS No.951395-08-7, Transthyretin stabiliser

CAS: 951395-08-7 Cat. No.: T651781 Peso molecular: 503.33 Número EC: 813-716-0

GRADE & PURITY ≥99%

Synonyms

Tafamidis meglumine | Vyndaqel | (2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol 2-(3,5-dichlorophenyl)benzo[d]oxazole-6-carboxylate | Fx 1006A | Fx1006A | Fx-1006A | UNII-ZU7CF08A1A | CHEBI:79345

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Tafamidis meglumine (Fx-1006A) is a potent and selective transthyretin (TTR) stabilizer, shows comparable potency and efficacy to the mutumant homotetramers V30M-TTR, V122I-TTR and wild type WT-TTR, with EC50s of 2.7-3.2 μM. Tafamidis meglumine inhibits amyloidogenesis

Specifications

Sinónimos

Tafamidis meglumine | Vyndaqel | (2R, 3R, 4R, 5S)-6-(Methylamino)hexane-1, 2, 3, 4, 5-pentaol 2-(3, 5-dichlorophenyl)benzo[d]oxazole-6-carboxylate | Fx 1006A | Fx1006A | Fx-1006A | UNII-ZU7CF08A1A | CHEBI:79345

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Tafamidis meglumine (Fx-1006A) is a potent and selective transthyretin (TTR) stabilizer, shows comparable potency and efficacy to the mutumant homotetramers V30M-TTR, V122I-TTR and wild type WT-TTR, with EC 50 s of 2.7-3.2 μM. Tafamidis meglumine inhibits

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

STABILISER

Mecanismo de acción

Transthyretin stabiliser

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CNCC(C(C(C(CO)O)O)O)O.C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl
• IUPAC Name: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
• InChIKey: DQJDBUPLRMRBAB-WZTVWXICSA-N
• INCHI: 1S/C14H7Cl2NO3.C7H17NO5/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-6H,(H,18,19);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• Isómeros SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl
• CAS alternativo: 594839-88-0;90191-92-7
• Términos de entrada MeSH: FX 1006A;FX-1006A;FX1006A;tafamidis;tafamidis meglumine;Vyndamax;Vyndaqel
• Peso molecular: 503.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Phenyl-1,3-oxazoles Benzoxazoles Dichlorobenzenes Aryl chlorides 1,3-aminoalcohols Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Polyols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Hexose monosaccharide - Phenyl-1,3-oxazole - Benzoxazole - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Heteroaromatic compound - Azole - Oxazole - 1,2-aminoalcohol - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Polyol - Monocarboxylic acid or derivatives - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: organoammonium salt

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 (no humanos)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 12.5 mg/mL (24.83 mM; Need ultrasonic) H2O : <0.1 mg/mL (insoluble)
• Sensibilidad: Moisture sensitive.
• Peso molecular: 503.300 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 502.091 Da
• Monoisotopic Mass: 502.091 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 505.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 2

XLogP3