Tetrahydrouridine

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

Identification

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Name
Tetrahydrouridine
Accession Number
DB12484
Type
Small Molecule
Groups
Investigational
Description

Tetrahydrouridine has been used in trials studying the treatment of Neoplasms, Lung Neoplasms, Breast Neoplasms, Sickle Cell Disease, and Head and Neck Cancer, among others.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
0NIZ8H6OL8
CAS number
18771-50-1
Weight
Average: 248.235
Monoisotopic: 248.100836243
Chemical Formula
C9H16N2O6
InChI Key
UCKYOOZPSJFJIZ-XVKVHKPRSA-N
InChI
InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
29243
PubChem Substance
347828722
ChemSpider
27196
BindingDB
50421666
ChEMBL
CHEMBL2311128

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedTreatmentAggressive B-cell Lymphoma / Indolent B-cell Lymphoma / Non-Hodgkin's Lymphoma (NHL) / T-Cell Lymphomas1
0CompletedTreatmentPancreatic Adenocarcinoma Metastatic1
0TerminatedDiagnosticNeoplasms, Breast / Neoplasms, Head and Neck / Neoplasms, Lung / Urinary Bladder Neoplasms1
1CompletedOtherHealthy Volunteers1
1CompletedTreatmentAdult Acute Myeloid Leukemia / De Novo Myelodysplastic Syndromes / Previously Treated Myelodysplastic Syndromes / Recurrent Adult Acute Myeloid Leukemia / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Secondary Myelodysplastic Syndromes / Untreated Adult Acute Myeloid Leukemia1
1CompletedTreatmentBrain and Central Nervous System Tumors1
1CompletedTreatmentHead and Neck Carcinoma1
1CompletedTreatmentNeoplasms1
1CompletedTreatmentSickle Cell Disorders1
1WithdrawnTreatmentMelanoma / Neoplasms Metastasis / Neoplasms, Germ Cell and Embryonal / Sarcomas1
1, 2RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1
2Active Not RecruitingTreatmentAdvanced Non-Small Cell Lung Cancer / Lung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1

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 Solubility209.0 mg/mLALOGPS
logP-2.5ALOGPS
logP-2.7ChemAxon
logS-0.07ALOGPS
pKa (Strongest Acidic)11.47ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area122.49 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity53.04 m3·mol-1ChemAxon
Polarizability23.59 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleosides
Sub Class
Not Available
Direct Parent
Pyrimidine nucleosides
Alternative Parents
Glycosylamines / Pentoses / Pyrimidones / Diazinanes / Tetrahydrofurans / Ureas / Secondary alcohols / Oxacyclic compounds / Azacyclic compounds / Alkanolamines
show 5 more
Substituents
Pyrimidine nucleoside / Glycosyl compound / N-glycosyl compound / Pentose monosaccharide / Pyrimidone / 1,3-diazinane / Pyrimidine / Monosaccharide / Tetrahydrofuran / Urea
show 17 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:33 / Updated on June 04, 2019 07:38