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Isofagomine D-Tartrate , CAS No.957230-65-8

COA

Cas Number: 957230-65-8
Molecular Weight: 297.26
PubChem CID: 56841032

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Item Number

I343323

Grouped product items
SKU	Size	Availability	Price
I343323-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90
I343323-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$617.90
I343323-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,002.90
I343323-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,757.90

a human acid β-glucosidase active site inhibitor that acts as a pharmacological chaperone.

View related series

Glucose Metabolism (1943) Glucosidase (71) Metabolic Enzyme/Protease (4860)

Basic Description

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 Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Isofagomine D-Tartrate is an inhibitor of human acid β-glucosidase. Isofagomine D-Tartrate is used in the treatment of Gaucher disease. Isofagomine D-Tartrate has been shown to increase lysosomal β-glucosidase activity by 2- to 3-fold in mutant N370S Gaucher fibroblasts. By interacting with the catalytic pocket of β-glucosidase, Isofagomine D-Tartrate acts as a chemical chaperone that increases the amount of β-glucosidase by stabilizing and/or promoting the folding of the enzyme. Isofagomine D-Tartrate is also known as Afegostat tartrate, (3R,4R,5R)-5-(Hydroxymethyl)-3,4-piperidinediol (2S,3S)-2,3-Dihydroxybutanedioate, and 5R-(hydroxymethyl)-3R,4R-piperidinediol, mono 2S,3S-dihydroxybutanedioate.

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
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

Names and Identifiers

IUPAC Name	(2S,3S)-2,3-dihydroxybutanedioic acid;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
INCHI	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
InChIKey	ULBPPCHRAVUQMC-AWUBODBRSA-N
Smiles	C1C(C(C(CN1)O)O)CO.C(C(C(=O)O)O)(C(=O)O)O
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in methanol, and water.
Refractive Index	n20D1.54 (Predicted)
Melt Point(°C)	138-143° C
Molecular Weight	297.260 g/mol
XLogP3
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 Å²
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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