5,6-dihydro-5-azacytidine

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

Identification

Generic Name
5,6-dihydro-5-azacytidine
DrugBank Accession Number
DB17151
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 246.223
Monoisotopic: 246.096419567
Chemical Formula
C8H14N4O5
Synonyms
  • 1,3,5-triazin-2(1h)-one, 4-amino-5,6-dihydro-1-.beta.-d-ribofuranosyl-
External IDs
  • DHAC
  • NSC-26480
  • NSC-265483

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
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Toxicity

Not Available

Pathways
Not Available
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Not Available

Interactions

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0627D8VG1C
CAS number
62488-57-7
InChI Key
LJIRBXZDQGQUOO-KVTDHHQDSA-N
InChI
InChI=1S/C8H14N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h3-6,13-15H,1-2H2,(H3,9,10,11,16)/t3-,4-,5-,6-/m1/s1
IUPAC Name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,5,6-tetrahydro-1,3,5-triazin-2-one
SMILES
NC1=NC(=O)N(CN1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

References

General References
Not Available
ChemSpider
90057
ChEMBL
CHEMBL3278060

Clinical Trials

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PhaseStatusPurposeConditionsCount

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 Solubility49.2 mg/mLALOGPS
logP-2.8ALOGPS
logP-3.2Chemaxon
logS-0.7ALOGPS
pKa (Strongest Acidic)12.56Chemaxon
pKa (Strongest Basic)6.76Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area140.64 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity52.59 m3·mol-1Chemaxon
Polarizability22.91 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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 21, 2022 19:32 / Updated at December 01, 2022 11:35