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

CAS: 951395-08-7 Cat. No.: T651781 Molecular Weight: 503.33 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

STABILISER

Mechanism of action

Transthyretin stabiliser

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Alternate CAS: 594839-88-0;90191-92-7
• MeSH Entry Terms: FX 1006A;FX-1006A;FX1006A;tafamidis;tafamidis meglumine;Vyndamax;Vyndaqel
• Molecular Weight: 503.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 12.5 mg/mL (24.83 mM; Need ultrasonic) H2O : <0.1 mg/mL (insoluble)
• Sensitivity: Moisture sensitive.
• Molecular Weight: 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