This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ropidoxuridine
- DrugBank Accession Number
- DB06485
- Background
Ropidoxuridine is a novel, orally available, thymidine analogue and prodrug for IUdR, which demonstrated a survival advantage in Phase II studies in anaplastic astrocytoma, a type of brain tumor.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ropidoxuridine (DB06485)
- Weight
- Average: 338.101
Monoisotopic: 337.97635 - Chemical Formula
- C9H11IN2O4
- Synonyms
- 1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-5-IODOPYRIMIDIN-2(1H)-ONE
- 2(1H)-PYRIMIDINONE, 1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-5-IODO-
- 5-iodo-2-pyrimidinone-2'-deoxyribose
- Ropidoxuridine
- External IDs
- IPD-R
- IPDR
- NSC-726188
Pharmacology
- Indication
Investigated for use/treatment in cancer/tumors (unspecified).
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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. View sample adverse effects data in our new Data Library!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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Pyrimidine nucleosides
- Sub Class
- Pyrimidine 2'-deoxyribonucleosides
- Direct Parent
- Pyrimidine 2'-deoxyribonucleosides
- Alternative Parents
- Pyrimidones / Halopyrimidines / Hydropyrimidines / Aryl iodides / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols / Oxacyclic compounds / Azacyclic compounds / Primary alcohols show 5 more
- Substituents
- Alcohol / Aromatic heteromonocyclic compound / Aryl halide / Aryl iodide / Azacycle / Halopyrimidine / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Organic nitrogen compound show 15 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3HX21A3SQF
- CAS number
- 93265-81-7
- InChI Key
- XIJXHOVKJAXCGJ-XLPZGREQSA-N
- InChI
- InChI=1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8+/m0/s1
- IUPAC Name
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2-dihydropyrimidin-2-one
- SMILES
- OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C=NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 8016494
- ChEMBL
- CHEMBL2103821
- ZINC
- ZINC000006091380
Clinical Trials
- 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 3.13 mg/mL ALOGPS logP -0.63 ALOGPS logP -0.32 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 13.89 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82.36 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 63.51 m3·mol-1 Chemaxon Polarizability 25.32 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0036-9053000000-2f793ec3be5384e8449a Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-2159000000-abcc1e9654bf8ae09747 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000j-0179000000-5cb8281cea9c2af9a2ca Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-6290000000-4051824393f4c224b9c1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-2290000000-484d60b11a53711bbc61 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0096-9784000000-af6b5a9050e6c032ab46 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-002f-9880000000-d5462d20abb1cf98f003 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 160.5516 predictedDeepCCS 1.0 (2019) [M+H]+ 162.94717 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.8597 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:34 / Updated at July 18, 2023 22:56