Rigosertib
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Rigosertib
- DrugBank Accession Number
- DB12146
- Background
Rigosertib has been used in trials studying the treatment and basic science of MDS, RAEB, Cancer, Hepatoma, and Neoplasms, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 451.49
Monoisotopic: 451.130087943 - Chemical Formula
- C21H25NO8S
- Synonyms
- Rigosertib
- External IDs
- ON 01910
- ON-01910
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Rigosertib is combined with Cinchocaine. Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Rigosertib Sodium 406FL5G00V 592542-60-4 VLQLUZFVFXYXQE-USRGLUTNSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids
- Alternative Parents
- Aminophenyl ethers / Methoxyanilines / Anisoles / Styrenes / Methoxybenzenes / Phenoxy compounds / Phenylalkylamines / Alkyl aryl ethers / Secondary alkylarylamines / Sulfones show 7 more
- Substituents
- Alkyl aryl ether / Alpha-amino acid / Amine / Amino acid / Aminophenyl ether / Aniline or substituted anilines / Anisole / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group show 22 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 67DOW7F9GL
- CAS number
- 592542-59-1
- InChI Key
- OWBFCJROIKNMGD-BQYQJAHWSA-N
- InChI
- InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+
- IUPAC Name
- 2-[(2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenyl)amino]acetic acid
- SMILES
- COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC(O)=O)=C2)C(OC)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 6918736
- PubChem Substance
- 347828442
- ChemSpider
- 5293927
- BindingDB
- 50060917
- ChEBI
- 145417
- ChEMBL
- CHEMBL1241855
- ZINC
- ZINC000003942646
- PDBe Ligand
- 6FS
- Wikipedia
- Rigosertib
- PDB Entries
- 5j18 / 5j2r / 5ov7
Clinical Trials
- Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0226 mg/mL ALOGPS logP 2.64 ALOGPS logP -0.25 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 2.27 Chemaxon pKa (Strongest Basic) 5.24 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 120.39 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 116.5 m3·mol-1 Chemaxon Polarizability 46.32 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
- Not Available
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
Drug created at October 20, 2016 21:28 / Updated at February 21, 2021 18:53