2-deoxy-2-fluoro-α-D-glucose

Identification

Generic Name

2-deoxy-2-fluoro-α-D-glucose

DrugBank Accession Number

DB04282

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 182.1469
Monoisotopic: 182.059051667
Chemical Formula: C₆H₁₁FO₅

Synonyms

2-deoxy-2-fluoro-alpha-D-glucose
2-DEOXY-2-FLUORO-GLUCOSE

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UExoglucanase/xylanase	Not Available	Cellulomonas fimi
UBeta-glucosidase A	Not Available	Paenibacillus polymyxa
UCellulase B	Not Available	Streptomyces lividans
ULactase-phlorizin hydrolase	Not Available	Humans

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects

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Toxicity

Not Available

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Categories

Drug Categories

Not Available

Chemical TaxonomyProvided by Classyfire

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.
Kingdom: Organic compounds
Super Class: Organic oxygen compounds
Class: Organooxygen compounds
Sub Class: Carbohydrates and carbohydrate conjugates
Direct Parent: Hexoses
Alternative Parents: Oxanes / Secondary alcohols / Hemiacetals / Fluorohydrins / Polyols / Oxacyclic compounds / Primary alcohols / Organofluorides / Hydrocarbon derivatives / Alkyl fluorides
Substituents: Alcohol / Aliphatic heteromonocyclic compound / Alkyl fluoride / Alkyl halide / Fluorohydrin / Halohydrin / Hemiacetal / Hexose monosaccharide / Hydrocarbon derivative / Organofluoride
Molecular Framework: Aliphatic heteromonocyclic compounds
External Descriptors: 2-deoxy-2-fluoro-D-glucopyranose (CHEBI:49132)

Affected organisms

Not Available

Chemical Identifiers

UNII: H0QPM375HE
CAS number: Not Available
InChI Key: ZCXUVYAZINUVJD-UKFBFLRUSA-N
InChI: InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
IUPAC Name: (2S,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILES: [H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])F

References

General References

Not Available

External Links

PubChem Compound: 445226
PubChem Substance: 46505526
ChemSpider: 392923
ChEBI: 49132
ChEMBL: CHEMBL1086863
ZINC: ZINC000003809846
PDBe Ligand: G2F

PDB Entries

1e4i / 1e70 / 1e73 / 1exp / 1h6m / 1iew / 1oin / 1uws / 1uyq / 2cit …

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	257.0 mg/mL	ALOGPS
logP	-1.9	ALOGPS
logP	-2	Chemaxon
logS	0.15	ALOGPS
pKa (Strongest Acidic)	11.02	Chemaxon
pKa (Strongest Basic)	-3	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	5	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	90.15 Å²	Chemaxon
Rotatable Bond Count	1	Chemaxon
Refractivity	34.23 m³·mol^-1	Chemaxon
Polarizability	15.44 Å³	Chemaxon
Number of Rings	1	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	Not Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available

Targets

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Details1. Exoglucanase/xylanase

Kind: Protein
Organism: Cellulomonas fimi
Pharmacological action: Unknown

General Function: Polysaccharide binding
Specific Function: Hydrolyzes both cellulose and xylan. Has also weak endoglucanase activity.The biological conversion of cellulose to glucose generally requires three types of hydrolytic enzymes: (1) Endoglucanases ...
Gene Name: cex
Uniprot ID: P07986
Uniprot Name: Exoglucanase/xylanase
Molecular Weight: 51290.845 Da

Details2. Beta-glucosidase A

Kind: Protein
Organism: Paenibacillus polymyxa
Pharmacological action: Unknown

General Function: Beta-glucosidase activity
Specific Function: BglA is intracellular and cleaves cellobiose probably through inorganic phosphate mediated hydrolysis.
Gene Name: bglA
Uniprot ID: P22073
Uniprot Name: Beta-glucosidase A
Molecular Weight: 51648.685 Da

Details3. Cellulase B

Kind: Protein
Organism: Streptomyces lividans
Pharmacological action: Unknown

General Function: Polysaccharide binding
Specific Function: Not Available
Gene Name: celB
Uniprot ID: Q54331
Uniprot Name: Cellulase B
Molecular Weight: 39239.03 Da

Details4. Lactase-phlorizin hydrolase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Transferase activity
Specific Function: LPH splits lactose in the small intestine.
Gene Name: LCT
Uniprot ID: P09848
Uniprot Name: Lactase-phlorizin hydrolase
Molecular Weight: 218584.77 Da

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52