Sucrosofate
Identification
- Name
- Sucrosofate
- Accession Number
- DB01901
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Sucrosofate (DB01901)
- Weight
- Average: 982.802
Monoisotopic: 981.770727994 - Chemical Formula
- C12H22O35S8
- Synonyms
- Sucrose octasulfate
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UFibroblast growth factor 1 Not Available Humans UFibroblast growth factor receptor 2 ligandHumans - 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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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
Products
- Product Ingredients
Ingredient UNII CAS InChI Key Sucrosofate potassium E6JGE99TEM 76578-81-9 ZLYYTLMQNBUBHA-NGOJJLSFSA-F
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as disaccharide sulfates. These are disaccharides carrying one or more sulfate group on a sugar unit.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Disaccharide sulfates
- Alternative Parents
- O-glycosyl compounds / C-glycosyl compounds / Ketals / Sulfuric acid monoesters / Oxanes / Alkyl sulfates / Tetrahydrofurans / Oxacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Acetal / Aliphatic heteromonocyclic compound / Alkyl sulfate / C-glycosyl compound / Disaccharide sulfate / Glycosyl compound / Hydrocarbon derivative / Ketal / O-glycosyl compound / Organic oxide
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- oligosaccharide sulfate (CHEBI:45560)
Chemical Identifiers
- UNII
- P7V86EYZ5L
- CAS number
- 57680-56-5
- InChI Key
- WEPNHBQBLCNOBB-UGDNZRGBSA-N
- InChI
- InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
- IUPAC Name
- [(2R,3R,4S,5S)-4-(sulfooxy)-2,5-bis[(sulfooxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}oxolan-3-yl]oxidanesulfonic acid
- SMILES
- OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 444237
- PubChem Substance
- 46504489
- ChemSpider
- 392225
- ChEMBL
- CHEMBL1235872
- ZINC
- ZINC000169654783
- PDB Entries
- 1afc / 2p39 / 2uus / 2uwn / 2v5e / 2v8e / 2yd8 / 2ygq / 3cu1 / 3j4p … show 8 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 1.45 mg/mL ALOGPS logP -1.8 ALOGPS logP -4.1 ChemAxon logS -2.8 ALOGPS pKa (Strongest Acidic) -3.4 ChemAxon Physiological Charge -8 ChemAxon Hydrogen Acceptor Count 27 ChemAxon Hydrogen Donor Count 8 ChemAxon Polar Surface Area 536.49 Å2 ChemAxon Rotatable Bond Count 21 ChemAxon Refractivity 148.71 m3·mol-1 ChemAxon Polarizability 72.47 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 0 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 - 0.5139 Blood Brain Barrier + 0.8873 Caco-2 permeable - 0.6549 P-glycoprotein substrate Non-substrate 0.8349 P-glycoprotein inhibitor I Inhibitor 0.5 P-glycoprotein inhibitor II Non-inhibitor 0.9841 Renal organic cation transporter Non-inhibitor 0.8448 CYP450 2C9 substrate Non-substrate 0.9184 CYP450 2D6 substrate Non-substrate 0.8277 CYP450 3A4 substrate Non-substrate 0.6188 CYP450 1A2 substrate Non-inhibitor 0.7964 CYP450 2C9 inhibitor Non-inhibitor 0.8416 CYP450 2D6 inhibitor Non-inhibitor 0.8972 CYP450 2C19 inhibitor Non-inhibitor 0.7996 CYP450 3A4 inhibitor Non-inhibitor 0.9785 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.948 Ames test Non AMES toxic 0.6007 Carcinogenicity Non-carcinogens 0.5905 Biodegradation Not ready biodegradable 0.8581 Rat acute toxicity 2.4709 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.6907 hERG inhibition (predictor II) Non-inhibitor 0.8579
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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
- 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
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- 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. [PubMed:17016423]
- 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. [PubMed:10592235]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Ligand
- Curator comments
- Bind to and stabilizes to protein.
- General Function
- Protein tyrosine kinase activity
- Specific Function
- Tyrosine-protein kinase that acts as cell-surface receptor for fibroblast growth factors and plays an essential role in the regulation of cell proliferation, differentiation, migration and apoptosi...
- Gene Name
- FGFR2
- Uniprot ID
- P21802
- Uniprot Name
- Fibroblast growth factor receptor 2
- Molecular Weight
- 92024.29 Da
References
- Hung KW, Kumar TK, Chi YH, Chiu IM, Yu C: Molecular cloning, overexpression, and characterization of the ligand-binding D2 domain of fibroblast growth factor receptor. Biochem Biophys Res Commun. 2004 Apr 23;317(1):253-8. [PubMed:15047176]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52