NAV

osgemcitabine palabenamide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
osgemcitabine palabenamide
DrugBank Accession Number
DB15057
Background

NUC-1031 is under investigation in clinical trial NCT03610100 (Acelarin First Line Randomised Pancreatic Study).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 580.482
Monoisotopic: 580.153457169
Chemical Formula
C25H27F2N4O8P
Synonyms
  • ACELARIN
  • BENZYL (2S)-2-((((2R,3R,5R)-5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-4,4-DIFLUORO-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHOXY-PHENOXY-PHOSPHORYL)AMINO)PROPANOATE
  • Fosgemcitabine palabenamide, p(rs)-
  • L-ALANINE, N-(2'-DEOXY-2',2'-DIFLUORO-P-PHENYL-5'-CYTIDYLYL)-, PHENYLMETHYL ESTER
  • L-Alanine, N-[[P(S)]-2?-deoxy-2?,2?-difluoro-P-phenyl-5?-cytidylyl]-, phenylmethyl ester
  • N-[[P(S)]-2?-deoxy-2?,2?-difluoro-P-phenyl-5?-cytidylyl]-L-alanine phenylmethyl ester
External IDs
  • BIO-1031
  • NUC 1031
  • NUC-1031
  • NUC1031
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when NUC-1031 is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when NUC-1031 is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when NUC-1031 is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when NUC-1031 is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when NUC-1031 is combined with Bupivacaine.
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
Alpha amino acid esters / Alanine and derivatives / Benzyloxycarbonyls / Phosphoric diester monoamides / Phenoxy compounds / Pyrimidones / Aminopyrimidines and derivatives / Hydropyrimidines / Organic phosphoramides / Imidolactams
show 14 more
Substituents
Alanine or derivatives / Alcohol / Alkyl fluoride / Alkyl halide / Alpha-amino acid ester / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteromonocyclic compound
show 34 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
XCL1K2T28K
CAS number
840506-29-8
InChI Key
NHTKGYOMICWFQZ-KKQYNPQSSA-N
InChI
InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1
IUPAC Name
benzyl (2S)-2-[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl)amino]propanoate
SMILES
C[C@H](NP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1

References

General References
Not Available
ChemSpider
9344265
ChEMBL
CHEMBL3126004

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentBile Duct Cancer1
2TerminatedTreatmentOvarian Cancer1
2, 3SuspendedTreatmentPancreatic Acinar Carcinoma / Pancreatic Neoplasms1
1CompletedTreatmentAmpullary Cancer / Bile Duct Cancer / Cholangiocarcinoma / Gallbladder Cancer1
1CompletedTreatmentCancer1

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
PropertyValueSource
Water Solubility0.0664 mg/mLALOGPS
logP2.43ALOGPS
logP2.01Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)10.22Chemaxon
pKa (Strongest Basic)3.64Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area162.01 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity134.78 m3·mol-1Chemaxon
Polarizability53.24 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-02fx-4212910000-3a383c8e23cd4e522f54
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-05ra-1112980000-bbbac9d76051adc6d0ee
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9800020000-d330d636dd93667b2879
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000940000-49ab2295c063d84159ad
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9520010000-2ef530bee400e000fa59
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zmr-4912130000-12eabbd8fcf1bd335886
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:45 / Updated at July 18, 2023 22:57