Isofagomine D-Tartrate - Moligand™, ≥95% , CAS No.957230-65-8

CAS: 957230-65-8 Cat. No.: I343323 Molecular Weight: 297.26 PubChem CID: 56841032

GRADE & PURITY Moligand™, ≥95%

Synonyms

Isofagomine (D-tartrate) | Afegostat D-Tartrate | Afegostat D-Tartrate (D-Isofagomine (D-Tartrate); Isofagomine (D-Tartrate)) | (3R,4R,5R)-5-(HYDROXYMETHYL)-3,4-PIPERIDINEDIOL (2S,3S)-2,3-DIHYDROXYBUTANEDIOATE | A14385 | AKOS030243237 | (2S,3S)-2,3-dihydr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Afegostat D-Tartrate is a pharmacological chaperone that binds specifically and reversibly with high affinity to acid-β-glucosidase (GCase) in the endoplasmic reticulum.

Specifications

Synonyms

Isofagomine (D-tartrate) | Afegostat D-Tartrate | Afegostat D-Tartrate (D-Isofagomine (D-Tartrate); Isofagomine (D-Tartrate)) | (3R, 4R, 5R)-5-(HYDROXYMETHYL)-3, 4-PIPERIDINEDIOL (2S, 3S)-2, 3-DIHYDROXYBUTANEDIOATE | A14385 | AKOS030243237 | (2S, 3S)-2, 3-dihydr

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C(C(C(CN1)O)O)CO.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
• InChIKey: ULBPPCHRAVUQMC-AWUBODBRSA-N
• INCHI: 1S/C6H13NO3.C4H6O6/c8-3-4-1-7-2-5(9)6(4)10;5-1(3(7)8)2(6)4(9)10/h4-10H,1-3H2;1-2,5-6H,(H,7,8)(H,9,10)/t4-,5-,6-;1-,2-/m10/s1
• Isomeric SMILES: C1[C@@H]([C@H]([C@@H](CN1)O)O)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
• PubChem CID: 56841032
• Molecular Weight: 297.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Piperidines 1,3-aminoalcohols 1,2-aminoalcohols Secondary alcohols Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Not available
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Alpha-hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Piperidine - 1,3-aminoalcohol - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid 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

Chemical and Physical Properties

• Solubility: Soluble in methanol, and water.
• Sensitivity: Moisture and light sensitive
• Refractive Index: n20D1.54 (Predicted)
• Melt Point(°C): 138-143° C
• Molecular Weight: 297.260 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 297.106 Da
• Monoisotopic Mass: 297.106 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 243.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

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