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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomySulthiame
Identification
- Name
- Sulthiame
- Accession Number
- DB08329
- Type
- Small Molecule
- Groups
- Experimental
- Description
- Not Available
- Structure
Structure for Sulthiame (DB08329)
- Synonyms
- Sultiame
- External IDs
- RIKER 594 / RIKER-594
- Categories
- UNII
- I00Q766CZ2
- CAS number
- 61-56-3
- Weight
- Average: 290.359
Monoisotopic: 290.039498326 - Chemical Formula
- C10H14N2O4S2
- InChI Key
- HMHVCUVYZFYAJI-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
- IUPAC Name
- 4-(1,1-dioxo-1λ⁶,2-thiazinan-2-yl)benzene-1-sulfonamide
- SMILES
- NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O
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Pharmacology
- Indication
- Not Available
- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UCarbonic anhydrase 2 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
- 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.
Drug Interaction Unlock Additional Data2,5-Dimethoxy-4-ethylthioamphetamine The risk or severity of adverse effects can be increased when Sulthiame is combined with 2,5-Dimethoxy-4-ethylthioamphetamine. 3-isobutyl-1-methyl-7H-xanthine Sulthiame may increase the excretion rate of 3-isobutyl-1-methyl-7H-xanthine which could result in a lower serum level and potentially a reduction in efficacy. 4-Bromo-2,5-dimethoxyamphetamine The risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Sulthiame. 4-Methoxyamphetamine The risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Sulthiame. 5-methoxy-N,N-dimethyltryptamine The risk or severity of adverse effects can be increased when Sulthiame is combined with 5-methoxy-N,N-dimethyltryptamine. 6-O-benzylguanine Sulthiame may increase the excretion rate of 6-O-benzylguanine which could result in a lower serum level and potentially a reduction in efficacy. 7-Deazaguanine Sulthiame may increase the excretion rate of 7-Deazaguanine which could result in a lower serum level and potentially a reduction in efficacy. 7-Nitroindazole The risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Sulthiame. 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline The risk or severity of adverse effects can be increased when Sulthiame is combined with 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline. 7,9-Dimethylguanine Sulthiame may increase the excretion rate of 7,9-Dimethylguanine which could result in a lower serum level and potentially a reduction in efficacy. Additional Data Available- Extended DescriptionExtended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
Learn more - Severity
- Evidence Level
- ActionAction
An effect category for each drug interaction. Know how this interaction affects the subject drug.
Learn more
- Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- ATC Codes
- N03AX03 — Sultiame
- PDB Entries
- 2q1q
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Active Not Recruiting Other Epilepsies 1 3 Terminated Treatment Epilepsy, Rolandic 1
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 1.96 mg/mL ALOGPS logP 0.37 ALOGPS logP -0.27 ChemAxon logS -2.2 ALOGPS pKa (Strongest Acidic) 10.55 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 97.54 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 67.46 m3·mol-1 ChemAxon Polarizability 28.1 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
Property Value Probability Human Intestinal Absorption + 0.9633 Blood Brain Barrier + 0.9382 Caco-2 permeable - 0.6039 P-glycoprotein substrate Non-substrate 0.6429 P-glycoprotein inhibitor I Non-inhibitor 0.7975 P-glycoprotein inhibitor II Non-inhibitor 0.9393 Renal organic cation transporter Non-inhibitor 0.7331 CYP450 2C9 substrate Non-substrate 0.7677 CYP450 2D6 substrate Non-substrate 0.8014 CYP450 3A4 substrate Non-substrate 0.5196 CYP450 1A2 substrate Non-inhibitor 0.8171 CYP450 2C9 inhibitor Non-inhibitor 0.5435 CYP450 2D6 inhibitor Non-inhibitor 0.9277 CYP450 2C19 inhibitor Inhibitor 0.6191 CYP450 3A4 inhibitor Non-inhibitor 0.6993 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.5444 Ames test Non AMES toxic 0.6894 Carcinogenicity Non-carcinogens 0.8414 Biodegradation Not ready biodegradable 0.9972 Rat acute toxicity 1.7952 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8038 hERG inhibition (predictor II) Non-inhibitor 0.6671
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
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Sulfanilides
- Direct Parent
- Sulfanilides
- Alternative Parents
- Benzenesulfonamides / Benzenesulfonyl compounds / Delta sultams / Organosulfonamides / Organic sulfonamides / Aminosulfonyl compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides show 1 more
- Substituents
- Benzenesulfonamide / Sulfanilide / Benzenesulfonyl group / Delta-sultam / Organic sulfonic acid amide / Organosulfonic acid amide / 1,2-thiazinane / Organic sulfonic acid or derivatives / Organosulfonic acid or derivatives / Sulfonyl show 11 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion in...
- Gene Name
- CA2
- Uniprot ID
- P00918
- Uniprot Name
- Carbonic anhydrase 2
- Molecular Weight
- 29245.895 Da
References
- 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]
Drug created on September 15, 2010 15:30 / Updated on September 02, 2019 18:51