1-Deoxymannojirimycin hydrochloride - ≥98% , CAS No.73465-43-7

CAS: 73465-43-7 Cat. No.: D115559 Molecular Weight: 199.63 EC Number: 635-313-7

GRADE & PURITY ≥98%

Synonyms

DMM | (2R,3R,4R,5R)-2-(Hydroxymethyl)-3,4,5-piperidinetriol Hydrochloride | Deoxymannonojirimycin HCl | W-203675 | SR-01000597908 | DTXSID00994213 | AKOS015832987 | HMS3412C16 | (2R,3R,4R,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride | F85604

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

1-Deoxymannojirimycin hydrochloride is a selective inhibitor of α(1→2)-mannosidases. Mannosidases are broken into two subtypes: I and II, which display a wide expression pattern. Mannosidase I hydrolyzes (1,2)-linked α-D-mannose residues in the oligo-mannose oligosaccharide Man9(GlcNAc)2 and mannosidase II hydrolyzes (1,3)- and (1,6)-linked α-D-mannose residues in Man5(GlcNAc)3. Both mannosidase I and mannosidase II of require a divalent cation cofactor.
1-Deoxymannojirimycin (DMM) hydrochloride is an inhibitor of N-linked glycosylationan and has antiviral activity. Derivatives of deoxymannojirimycin may have anti-HIV activity.

Specifications

Synonyms

DMM | (2R, 3R, 4R, 5R)-2-(Hydroxymethyl)-3, 4, 5-piperidinetriol Hydrochloride | Deoxymannonojirimycin HCl | W-203675 | SR-01000597908 | DTXSID00994213 | AKOS015832987 | HMS3412C16 | (2R, 3R, 4R, 5R)-2-(hydroxymethyl)piperidine-3, 4, 5-triol;hydrochloride | F85604

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective inhibitor ofα-mannosidase I.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766368
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766368
• Canonical Smiles: C1C(C(C(C(N1)CO)O)O)O.Cl
• IUPAC Name: (2R,3R,4R,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
• InChIKey: ZJIHMALTJRDNQI-MVNLRXSJSA-N
• INCHI: 1S/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4-,5-,6-;/m1./s1
• Isomeric SMILES: C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O.Cl
• WGK Germany: 3
• Molecular Weight: 199.63
• Reaxy-Rn: 24947890
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24947890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Quaternary ammonium salts Secondary alcohols 1,2-diols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Quaternary ammonium salt - 1,2-aminoalcohol - 1,2-diol - Secondary alcohol - Secondary aliphatic amine - Azacycle - Polyol - Organic nitrogen compound - Organic zwitterion - Primary alcohol - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 9.98, Max Conc. mM: 50
• Sensitivity: Air sensitive
• Molecular Weight: 199.630 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 199.061 Da
• Monoisotopic Mass: 199.061 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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

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