N,O6-Disulfo-Glucosamine
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Identification
- Generic Name
- N,O6-Disulfo-Glucosamine
- DrugBank Accession Number
- DB03959
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 339.298
Monoisotopic: 338.993001643 - Chemical Formula
- C6H13NO11S2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.
- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UFibroblast growth factor 2 Not Available Humans UFibroblast growth factor 1 Not Available Humans UHeparan sulfate glucosamine 3-O-sulfotransferase 3A1 Not Available Humans UHepatocyte growth factor Not Available Humans UComplement control protein C3 Not Available VACV UAnnexin A5 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Monosaccharide sulfates / Sulfuric acid monoesters / Sulfuric acid monoamides / Oxanes / Alkyl sulfates / Secondary alcohols / Hemiacetals / 1,2-diols / Oxacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- 1,2-diol / Alcohol / Aliphatic heteromonocyclic compound / Alkyl sulfate / Hemiacetal / Hexose monosaccharide / Hydrocarbon derivative / Monosaccharide sulfate / Organic nitrogen compound / Organic oxide show 12 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- DQTRACMFIGDHSN-UKFBFLRUSA-N
- InChI
- InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
- IUPAC Name
- {[(2R,3S,4R,5R,6S)-3,4,6-trihydroxy-5-(sulfoamino)oxan-2-yl]methoxy}sulfonic acid
- SMILES
- [H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1axm / 1bfb / 1bfc / 1e0o / 1fq9 / 1g5n / 1gmn / 1gmo / 1hpn / 1qqp … show 72 more
Clinical Trials
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 11.0 mg/mL ALOGPS logP -2.6 ALOGPS logP -7 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) -2.3 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 199.92 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 57.86 m3·mol-1 Chemaxon Polarizability 27.21 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.8535 Blood Brain Barrier - 0.6676 Caco-2 permeable - 0.6356 P-glycoprotein substrate Non-substrate 0.8428 P-glycoprotein inhibitor I Non-inhibitor 0.6779 P-glycoprotein inhibitor II Non-inhibitor 0.9734 Renal organic cation transporter Non-inhibitor 0.9433 CYP450 2C9 substrate Non-substrate 0.8284 CYP450 2D6 substrate Non-substrate 0.8203 CYP450 3A4 substrate Non-substrate 0.6068 CYP450 1A2 substrate Non-inhibitor 0.7814 CYP450 2C9 inhibitor Non-inhibitor 0.8255 CYP450 2D6 inhibitor Non-inhibitor 0.8963 CYP450 2C19 inhibitor Non-inhibitor 0.8058 CYP450 3A4 inhibitor Non-inhibitor 0.9853 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9784 Ames test Non AMES toxic 0.5946 Carcinogenicity Non-carcinogens 0.7835 Biodegradation Not ready biodegradable 0.5503 Rat acute toxicity 2.2530 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8245 hERG inhibition (predictor II) Non-inhibitor 0.8074
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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1. DetailsFibroblast growth factor 2
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ligand-dependent nuclear receptor transcription coactivator activity
- Specific Function
- Plays an important role in the regulation of cell survival, cell division, angiogenesis, cell differentiation and cell migration. Functions as potent mitogen in vitro.
- Gene Name
- FGF2
- Uniprot ID
- P09038
- Uniprot Name
- Fibroblast growth factor 2
- Molecular Weight
- 30769.715 Da
References
2. DetailsFibroblast growth factor 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- S100 protein binding
- Specific Function
- Plays an important role in the regulation of cell survival, cell division, angiogenesis, cell differentiation and cell migration. Functions as potent mitogen in vitro.
- Gene Name
- FGF1
- Uniprot ID
- P05230
- Uniprot Name
- Fibroblast growth factor 1
- Molecular Weight
- 17459.58 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Sulfotransferase activity
- Specific Function
- Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to an N-unsubstituted glucosamine linked to a 2-O-sulfo iduronic acid unit on heparan ...
- Gene Name
- HS3ST3A1
- Uniprot ID
- Q9Y663
- Uniprot Name
- Heparan sulfate glucosamine 3-O-sulfotransferase 3A1
- Molecular Weight
- 44899.155 Da
References
4. DetailsHepatocyte growth factor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Potent mitogen for mature parenchymal hepatocyte cells, seems to be a hepatotrophic factor, and acts as a growth factor for a broad spectrum of tissues and cell types. Activating ligand for the rec...
- Gene Name
- HGF
- Uniprot ID
- P14210
- Uniprot Name
- Hepatocyte growth factor
- Molecular Weight
- 83133.115 Da
References
5. DetailsComplement control protein C3
- Kind
- Protein
- Organism
- VACV
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Serves to protect the virus against complement attack by inhibiting both classical and alternative pathways of complement activation. Binds C3b and C4b.
- Gene Name
- Not Available
- Uniprot ID
- P68638
- Uniprot Name
- Complement control protein C3
- Molecular Weight
- 28629.03 Da
References
6. DetailsAnnexin A5
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Phospholipid binding
- Specific Function
- This protein is an anticoagulant protein that acts as an indirect inhibitor of the thromboplastin-specific complex, which is involved in the blood coagulation cascade.
- Gene Name
- ANXA5
- Uniprot ID
- P08758
- Uniprot Name
- Annexin A5
- Molecular Weight
- 35936.375 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52