NAV

Prednisone acetate

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

Identification

Generic Name
Prednisone acetate
DrugBank Accession Number
DB14646
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental, Investigational
Structure
3D
Similar Structures
Weight
Average: 400.471
Monoisotopic: 400.188588622
Chemical Formula
C23H28O6
Synonyms
  • 1,4-Pregnadien-17α,21-diol-3,11,20-trione-21-acetate
  • 21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trione
  • Cortancyl
  • delta'-Dehydrocortisone acetate
  • delta1-Cortisone-21-acetate
  • Prednisone 21-acetate
  • Prednisone-21-acetate
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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
AbemaciclibThe metabolism of Abemaciclib can be increased when combined with Prednisone acetate.
AcalabrutinibThe metabolism of Acalabrutinib can be increased when combined with Prednisone acetate.
AcarboseThe risk or severity of hyperglycemia can be increased when Prednisone acetate is combined with Acarbose.
AceclofenacThe risk or severity of gastrointestinal irritation can be increased when Prednisone acetate is combined with Aceclofenac.
AcemetacinThe risk or severity of gastrointestinal irritation can be increased when Prednisone acetate is combined with Acemetacin.
Food Interactions
Not Available

Products

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Active Moieties
NameKindUNIICASInChI Key
Prednisoloneprodrug9PHQ9Y1OLM50-24-8OIGNJSKKLXVSLS-VWUMJDOOSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Pregnane steroids
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids / 3-oxo delta-1,4-steroids / 17-hydroxysteroids / 11-oxosteroids / Delta-1,4-steroids / Alpha-acyloxy ketones / Tertiary alcohols / Alpha-hydroxy ketones / Cyclic ketones / Cyclic alcohols and derivatives
show 4 more
Substituents
11-oxosteroid / 17-hydroxysteroid / 20-oxosteroid / 3-oxo-delta-1,4-steroid / 3-oxosteroid / Alcohol / Aliphatic homopolycyclic compound / Alpha-acyloxy ketone / Alpha-hydroxy ketone / Carbonyl group
show 15 more
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
acetate ester, 17alpha-hydroxy steroid, steroid ester, 20-oxo steroid, 3-oxo-Delta(1),Delta(4)-steroid, 11-oxo steroid (CHEBI:34655)
Affected organisms
Not Available

Chemical Identifiers

UNII
OU93QEL83U
CAS number
125-10-0
InChI Key
MOVRKLZUVNCBIP-RFZYENFJSA-N
InChI
InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
IUPAC Name
2-[(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
SMILES
[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

References

General References
Not Available
KEGG Drug
D08416
KEGG Compound
C14668
ChemSpider
82567
ChEBI
34655
ChEMBL
CHEMBL1507567
ZINC
ZINC000003881638

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentEvaporative Dry Eye / Meibomian Gland Dysfunction (Disorder)1
4CompletedTreatmentLiver Transplantation1
4RecruitingTreatmentMacular Pucker / Retinal Edema / Vitrectomy therapy1
3RecruitingTreatmentAngiœdema / Urticaria1
3RecruitingTreatmentAnti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis / End Stage Renal Disease (ESRD)1

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 Solubility0.0235 mg/mLALOGPS
logP2.25ALOGPS
logP2.1Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)12.6Chemaxon
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area97.74 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity106.72 m3·mol-1Chemaxon
Polarizability42.51 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-001i-0009100000-3e7265a1df5d7c09a2cd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052k-7009000000-af11f62102b48d355a3c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9017000000-27b3fe9502c169aea7ce
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-0897100000-748a7b4164c7c6a1bcd7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4j-8094000000-77a5d966d581d97f59b6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-0922000000-2d3fc69d61c792518d08
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-207.2213181
predicted
DarkChem Lite v0.1.0
[M-H]-188.14983
predicted
DeepCCS 1.0 (2019)
[M+H]+206.3123181
predicted
DarkChem Lite v0.1.0
[M+H]+190.54538
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.8725181
predicted
DarkChem Lite v0.1.0
[M+Na]+196.42323
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 3A4
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inducer
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Dvorak Z, Pavek P: Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35. doi: 10.3109/03602532.2010.484462. [Article]
Details2. Cytochrome P450 3A5
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inducer
General Function
Oxygen binding
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP3A5
Uniprot ID
P20815
Uniprot Name
Cytochrome P450 3A5
Molecular Weight
57108.065 Da
References
  1. Dvorak Z, Pavek P: Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35. doi: 10.3109/03602532.2010.484462. [Article]

Drug created at September 01, 2018 21:34 / Updated at June 12, 2020 16:53