NAV

Guadecitabine

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

Identification

Name
Guadecitabine
Accession Number
DB11918
Description

Guadecitabine is under investigation for the treatment of Previously Treated Metastatic Colorectal Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Similar Structures
Weight
Average: 557.417
Monoisotopic: 557.138375007
Chemical Formula
C18H24N9O10P
Synonyms
Not Available
External IDs
  • SGI-110

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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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.
DrugInteraction
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Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Guadecitabine.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with Guadecitabine.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Guadecitabine.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with Guadecitabine.
Additional Data Available
  • Extended Description
    Extended Description
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  • Severity
    Severity
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    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level
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  • Action
    Action
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Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Guadecitabine Sodium0RB89YH367929904-85-8XLHBNJPXFOZFNJ-BYKQGDNKSA-M

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Sub Class
Purine deoxyribonucleotides
Direct Parent
Purine 2'-deoxyribonucleoside monophosphates
Alternative Parents
6-oxopurines / Hypoxanthines / Triazinones / Pyrimidones / Aminopyrimidines and derivatives / Aminotriazines / Dialkyl phosphates / 1,3,5-triazines / N-substituted imidazoles / Vinylogous amides
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Substituents
1,3,5-triazine / 6-oxopurine / Alcohol / Alkyl phosphate / Amine / Amino-1,3,5-triazine / Aminopyrimidine / Aminotriazine / Aromatic heteropolycyclic compound / Azacycle
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
2KT4YN1DP7
CAS number
929901-49-5
InChI Key
GUWXKKAWLCENJA-WGWHJZDNSA-N
InChI
InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1
IUPAC Name
{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydro-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[[email protected]]1C[[email protected]](O)[[email protected]@H](COP(O)(=O)O[[email protected]]2C[[email protected]@H](O[[email protected]@H]2CO)N2C=NC(N)=NC2=O)O1

References

General References
Not Available
PubChem Compound
71587872
PubChem Substance
347828249
ChemSpider
32701891
ChEMBL
CHEMBL3544916
ZINC
ZINC000043203165

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentLeukemia, Myelomonocytic, Chronic / Myelodysplastic Syndromes (MDS)1
3CompletedTreatmentAcute Myeloid Leukemia (AML)2
2Active Not RecruitingTreatmentAcute Myeloid Leukemia (AML) / Myeloid Dysplastic Syndrome1
2Active Not RecruitingTreatmentHigh Risk Myelodysplastic Syndrome1
2Active Not RecruitingTreatmentMyeloproliferative Neoplasms1
2Active Not RecruitingTreatmentRecurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma1
2Active Not RecruitingTreatmentTransitional Cell Carcinoma1
2Active Not RecruitingTreatmentUntreated Adult Acute Myeloid Leukemia1
2CompletedTreatmentGastrointestinal Stromal Tumors / Paraganglioma / Pheochromocytomas / Renal Cell Adenocarcinoma / Renal Neoplasms1
2CompletedTreatmentHepatocellular Carcinoma1

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 Solubility2.89 mg/mLALOGPS
logP-2ALOGPS
logP-3.6ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)1.79ChemAxon
pKa (Strongest Basic)2.67ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area271.03 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity120.45 m3·mol-1ChemAxon
Polarizability49.74 Å3ChemAxon
Number of Rings5ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 15:00 / Updated on June 12, 2020 10:53

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