3,4-Methylenedioxy-N-isopropylamphetamine
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
- Weight
- Average: 221.3
Monoisotopic: 221.141578856 - Chemical Formula
- C13H19NO2
- Synonyms
- MDI-P
- MDIP
- MDIPA
Pharmacology
- Indication
Investigated for use/treatment in asthma, cystic fibrosis, and HIV infection.
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Whitson S: Drug watch. Posit Aware. 1999 Jan-Feb;10(1):18-9. [Article]
- External Links
- ChemSpider
- 2319184
- Wikipedia
- 3,4-Methylenedioxy-N-isopropylamphetamine
Clinical Trials
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
Property Value Source Water Solubility 0.772 mg/mL ALOGPS logP 2.64 ALOGPS logP 2.63 Chemaxon logS -2.5 ALOGPS pKa (Strongest Basic) 10.31 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 30.49 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 63.41 m3·mol-1 Chemaxon Polarizability 25.46 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0980000000-b83c4669001ac39e6778 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0390000000-5b3234006397e8e39308 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-053l-1900000000-89b150a6f502e3b9da0f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00e9-0950000000-f3269df5be0604c6c31a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-5910000000-bddf5187fb6a1832996a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-2900000000-d09fbb6c12951aac55d6 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 163.4039959 predictedDarkChem Lite v0.1.0 [M+H]+ 164.4359959 predictedDarkChem Lite v0.1.0 [M+Na]+ 163.6103959 predictedDarkChem Lite v0.1.0
Drug created at November 18, 2007 18:30 / Updated at June 12, 2020 16:52