NAV

Atiprimod

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

Identification

Generic Name
Atiprimod
DrugBank Accession Number
DB05513
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 336.608
Monoisotopic: 336.350449425
Chemical Formula
C22H44N2
Synonyms
  • Atiprimod
  • Azaspirane
  • N,N-Diethyl-8,8-dipropyl-2-azaspiro(4.5)decane-2-propanamine
External IDs
  • SK&F-106615
  • SKF 106615
  • SKF-106615
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Pharmacology

Indication

Investigated for use/treatment in cancer/tumors (unspecified), multiple myeloma, and rheumatoid arthritis.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UInterleukin-6Not AvailableHumans
UTumor necrosis factorNot AvailableHumans
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Atiprimod dimaleateYNU265SSR3183063-72-1Not applicable
International/Other Brands
Atiprimod

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azaspirodecane derivatives
Sub Class
Not Available
Direct Parent
Azaspirodecane derivatives
Alternative Parents
N-alkylpyrrolidines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Aliphatic heteropolycyclic compound / Amine / Azacycle / Azaspirodecane / Hydrocarbon derivative / N-alkylpyrrolidine / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Pyrrolidine
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
MG7D3QD743
CAS number
123018-47-3
InChI Key
SERHTTSLBVGRBY-UHFFFAOYSA-N
InChI
InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3
IUPAC Name
(3-{8,8-dipropyl-2-azaspiro[4.5]decan-2-yl}propyl)diethylamine
SMILES
CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1

References

General References
Not Available
Human Metabolome Database
HMDB0248700
ChemSpider
114962
ChEMBL
CHEMBL103735
ZINC
ZINC000001540226
Wikipedia
Atiprimod

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentNeuroendocrine Carcinomas (NEC)2
1TerminatedTreatmentAdvanced Malignant Neoplasm1
1, 2CompletedTreatmentMultiple Myeloma (MM)1
1, 2Unknown StatusTreatmentAdvanced Malignant Neoplasm1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000701 mg/mLALOGPS
logP6.19ALOGPS
logP5.37Chemaxon
logS-5.7ALOGPS
pKa (Strongest Basic)10.2Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area6.48 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity108.21 m3·mol-1Chemaxon
Polarizability44.46 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-0553-8984000000-0831f4f49a60294a89a1
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000e-0096000000-c20036e85ea06f10327e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-1092000000-37422dc8243f6218491b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-65418853922556b063ce
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-a266fe4a64481a8fb522
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0096-3390000000-0e141042e282c47447b5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-054x-0096000000-bf8e88e0381c6a82bdbd
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]-196.5678086
predicted
DarkChem Lite v0.1.0
[M-H]-186.87827
predicted
DeepCCS 1.0 (2019)
[M+H]+197.1673086
predicted
DarkChem Lite v0.1.0
[M+H]+189.23627
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.6003086
predicted
DarkChem Lite v0.1.0
[M+Na]+195.32942
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Interleukin-6
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Interleukin-6 receptor binding
Specific Function
Cytokine with a wide variety of biological functions. It is a potent inducer of the acute phase response. Plays an essential role in the final differentiation of B-cells into Ig-secreting cells Inv...
Gene Name
IL6
Uniprot ID
P05231
Uniprot Name
Interleukin-6
Molecular Weight
23717.965 Da
Details2. Tumor necrosis factor
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Tumor necrosis factor receptor binding
Specific Function
Cytokine that binds to TNFRSF1A/TNFR1 and TNFRSF1B/TNFBR. It is mainly secreted by macrophages and can induce cell death of certain tumor cell lines. It is potent pyrogen causing fever by direct ac...
Gene Name
TNF
Uniprot ID
P01375
Uniprot Name
Tumor necrosis factor
Molecular Weight
25644.15 Da

Drug created at November 18, 2007 18:25 / Updated at December 13, 2022 10:46