4-(Isopropylamino)diphenylamine

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

Identification

Generic Name
4-(Isopropylamino)diphenylamine
DrugBank Accession Number
DB14195
Background

4-(Isopropylamino)diphenylamine, also known as IPPD, is a chemical compound commonly used as an antiozonant in rubbers, particularly those used for tires. It is also a known allergen. Sensitivity to this compound may be identified with a clinical patch test.

Type
Small Molecule
Groups
Approved, Experimental
Structure
Weight
Average: 226.323
Monoisotopic: 226.146998588
Chemical Formula
C15H18N2
Synonyms
  • 1,4-Benzenediamine, N-(1-methylethyl)-N'-phenyl-
  • 4-Anilino-N-isopropylaniline
  • Cyzone
  • IPPD
  • N-Fenyl-N'-isopropyl-p-fenylendiamin
  • N-Isopropyl-N'-phenyl-1,4-phenylenediamine
  • N-Isopropyl-N'-phenyl-p-phenylenediamine
  • Nonox ZA
  • p-Phenylenediamine, N-isopropyl-N'-phenyl
External IDs
  • 4010 NA
  • 4010NA

Pharmacology

Indication

4-(Isopropylamino)diphenylamine is approved for use within allergenic epicutaneous patch tests which are indicated for use as an aid in the diagnosis of allergic contact dermatitis (ACD) in persons 6 years of age and older.

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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

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
T.R.U.E. Test Thin-Layer Rapid Use Patch Test4-(Isopropylamino)diphenylamine (10 ug/48h) + 2,2'-Dibenzothiazyl disulfide (20 ug/48h) + 2-mercaptobenzothiazole (61 ug/48h) + Bacitracin (486 ug/48h) + Balsam of Peru (648 ug/48h) + Benzocaine (378 ug/48h) + Benzylparaben (162 ug/48h) + Bisphenol A diglycidyl ether (32 ug/48h) + Bromothalonil (4 ug/48h) + Bronopol (203 ug/48h) + Budesonide (0.8 ug/48h) + Butylparaben (162 ug/48h) + Chlorquinaldol (77 ug/48h) + Cinchocaine hydrochloride (66 ug/48h) + Cinnamaldehyde (41 ug/48h) + Cinnamyl alcohol (63 ug/48h) + Clioquinol (77 ug/48h) + Cobalt chloride hexahydrate (4 ug/48h) + Diazolidinylurea (446 ug/48h) + Potassium dichromate (15.7 ug/48h) + Dipentamethylenethiuram disulfide (5.5 ug/48h) + Diphenylguanidine (68 ug/48h) + Disperse Blue 106 (41 ug/48h) + Disulfiram (5.5 ug/48h) + Ditiocarb zinc (68 ug/48h) + Ethyl hydroxybenzoate (162 ug/48h) + Ethylenediamine (18 ug/48h) + Eugenol (41 ug/48h) + Evernia prunastri (81 ug/48h) + Formaldehyde (146 ug/48h) + Geraniol (81 ug/48h) + Hydrocortisone butyrate (16 ug/48h) + Hydroxycitronellal (63 ug/48h) + Imidurea (486 ug/48h) + Isoeugenol (17 ug/48h) + Lanolin alcohols (810 ug/48h) + Methylchloroisothiazolinone (3 ug/48h) + Methylparaben (162 ug/48h) + Morpholinylmercaptobenzothiazole (20 ug/48h) + N,N'-diphenyl-1,4-phenylenediamine (25 ug/48h) + N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine (25 ug/48h) + Neomycin sulfate (486 ug/48h) + Nickel sulfate hexahydrate (36 ug/48h) + Parthenolide (2 ug/48h) + Propylparaben (162 ug/48h) + Quaternium-15 (81 ug/48h) + Rosin (972 ug/48h) + Sodium aurotiosulfate (23 ug/48h) + Tetracaine hydrochloride (66 ug/48h) + Tetramethylthiuram monosulfide (5.5 ug/48h) + Thimerosal (6 ug/48h) + Thiohexam (20 ug/48h) + Thiram (5.5 ug/48h) + Tixocortol pivalate (2 ug/48h) + Zinc dibutyldithiocarbamate (68 ug/48h) + alpha-Amyl cinnamaldehyde (17 ug/48h) + p-Phenylenediamine (65 ug/48h) + p-tert-Butylphenol-formaldehyde resin (low molecular weight) (36 ug/48h)KitCutaneousSmartPractice Denmark ApS2012-03-01Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0M7PSL4100
CAS number
101-72-4
InChI Key
OUBMGJOQLXMSNT-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
IUPAC Name
N1-phenyl-N4-(propan-2-yl)benzene-1,4-diamine
SMILES
CC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1

References

General References
Not Available
ChemSpider
7292
RxNav
1363710
ChEBI
63569
ChEMBL
CHEMBL1449018
ZINC
ZINC000000393922
Wikipedia
N-Isopropyl-N%27-phenyl-1,4-phenylenediamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.048 mg/mLALOGPS
logP4.22ALOGPS
logP3.66Chemaxon
logS-3.7ALOGPS
pKa (Strongest Basic)6.42Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area24.06 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity73.91 m3·mol-1Chemaxon
Polarizability26.89 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/MSsplash10-004i-0090000000-efcf03877b36053d16fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-49c502f2cc50038ca917
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0190000000-d7e2b75cce10d7b0e72c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1090000000-6808fc164d0cc522e42c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0573-3920000000-9a9ba200f5ecca99f112
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0apl-2930000000-b6e2f94c5f37d4b0575f
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]-159.0241129
predicted
DarkChem Lite v0.1.0
[M-H]-169.8705481
predicted
DarkChem Lite v0.1.0
[M-H]-152.07913
predicted
DeepCCS 1.0 (2019)
[M+H]+164.135134
predicted
DarkChem Lite v0.1.0
[M+H]+170.5412481
predicted
DarkChem Lite v0.1.0
[M+H]+154.43713
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.7483197
predicted
DarkChem Lite v0.1.0
[M+Na]+170.0445481
predicted
DarkChem Lite v0.1.0
[M+Na]+160.53029
predicted
DeepCCS 1.0 (2019)

Drug created at July 03, 2018 21:50 / Updated at June 12, 2020 16:53