NAV

3,4-Methylenedioxy-N-isopropylamphetamine

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

Identification

Generic Name
3,4-Methylenedioxy-N-isopropylamphetamine
DrugBank Accession Number
DB06112
Background

MDI-P has demonstrated potent anti-HIV activity. MDI-P has been shown to be effective in killing HIV in cell culture. HIV is the virus that causes acquired immune deficiency syndrome (AIDS). MDI-P is also a potential therapeutic agent for the treatment of the symptoms of cystic fibrosis ("CF").

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 221.3
Monoisotopic: 221.141578856
Chemical Formula
C13H19NO2
Synonyms
  • MDI-P
  • MDIP
  • MDIPA
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Pharmacology

Indication

Investigated for use/treatment in asthma, cystic fibrosis, and HIV infection.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

MDI-P's mechanism of action is not accomplished by enzyme or nucleic acid inhibition, but rather by direct intra-cellular effects. MDI-P is very rapid in effect and destroys viruses without destroying host cells.

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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
307EH7224K
CAS number
74698-37-6
InChI Key
XKEVWMVUIDDRMC-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO2/c1-9(2)14-10(3)6-11-4-5-12-13(7-11)16-8-15-12/h4-5,7,9-10,14H,6,8H2,1-3H3
IUPAC Name
[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](propan-2-yl)amine
SMILES
CC(C)NC(C)CC1=CC2=C(OCO2)C=C1

References

General References
  1. Whitson S: Drug watch. Posit Aware. 1999 Jan-Feb;10(1):18-9. [Article]
ChemSpider
2319184
Wikipedia
3,4-Methylenedioxy-N-isopropylamphetamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.772 mg/mLALOGPS
logP2.64ALOGPS
logP2.63Chemaxon
logS-2.5ALOGPS
pKa (Strongest Basic)10.31Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area30.49 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity63.41 m3·mol-1Chemaxon
Polarizability25.46 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-00di-0980000000-b83c4669001ac39e6778
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0390000000-5b3234006397e8e39308
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053l-1900000000-89b150a6f502e3b9da0f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00e9-0950000000-f3269df5be0604c6c31a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-5910000000-bddf5187fb6a1832996a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-2900000000-d09fbb6c12951aac55d6
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]-163.4039959
predicted
DarkChem Lite v0.1.0
[M+H]+164.4359959
predicted
DarkChem Lite v0.1.0
[M+Na]+163.6103959
predicted
DarkChem Lite v0.1.0

Drug created at November 18, 2007 18:30 / Updated at June 12, 2020 16:52