NAV

S-3APG

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

Identification

Generic Name
S-3APG
DrugBank Accession Number
DB17419
Background

S-3APG (S-3-[3-amino-phthalimido]-glutarimide) is a derivative of thalidomide with dual activity against B-cell neoplasias.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 273.2441
Monoisotopic: 273.074955855
Chemical Formula
C13H11N3O4
Synonyms
  • S-3-[3-amino-phthalimido]-glutarimide
External IDs
  • S 3APG
  • S-3APG
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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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Sub Class
Isoindolines
Direct Parent
Phthalimides
Alternative Parents
Alpha amino acids and derivatives / Isoindoles / Piperidinediones / Delta lactams / N-substituted carboxylic acid imides / Benzenoids / Vinylogous amides / N-unsubstituted carboxylic acid imides / Dicarboximides / Azacyclic compounds
show 5 more
Substituents
Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-substituted
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
dicarboximide, aromatic amine, piperidones, isoindoles (CHEBI:72690)
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
UVSMNLNDYGZFPF-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
IUPAC Name
4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
SMILES
NC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1

References

General References
  1. Lentzsch S, Rogers MS, LeBlanc R, Birsner AE, Shah JH, Treston AM, Anderson KC, D'Amato RJ: S-3-Amino-phthalimido-glutarimide inhibits angiogenesis and growth of B-cell neoplasias in mice. Cancer Res. 2002 Apr 15;62(8):2300-5. [Article]
Human Metabolome Database
HMDB0256694

Clinical Trials

Clinical Trials
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 Solubility2.57 mg/mLALOGPS
logP0.02ALOGPS
logP-0.16Chemaxon
logS-2ALOGPS
pKa (Strongest Acidic)11.59Chemaxon
pKa (Strongest Basic)1.56Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area109.57 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity69.03 m3·mol-1Chemaxon
Polarizability25.76 Å3Chemaxon
Number of Rings3Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0gej-4980000000-d041e1fb3b612b5f8e22
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0udi-1590000000-a511655f5e07f3ab2179
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0udi-1590000000-a511655f5e07f3ab2179
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03k9-0950000000-3ac3023bb45726593bde
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0940000000-a7a68e999bd6f0d8b8b8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03k9-2940000000-bf9d50f4f1d77c83b231
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03mi-1790000000-e751bcfa845aeb966936
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3910000000-8702afe7fb04360a4b8f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-2900000000-9e36d4f0f040b2c49141
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
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]-162.72557
predicted
DeepCCS 1.0 (2019)
[M+H]+165.08357
predicted
DeepCCS 1.0 (2019)
[M+Na]+171.17674
predicted
DeepCCS 1.0 (2019)

Drug created at January 05, 2023 22:00 / Updated at April 18, 2024 12:56