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

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

Similar Structures

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

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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
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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

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
T.R.U.E. Test Thin-Layer Rapid Use Patch Test	4-(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)	Kit	Cutaneous	SmartPractice Denmark ApS	2012-03-01	Not applicable

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

External Links

ChemSpider: 7292
RxNav: 1363710
ChEBI: 63569
ChEMBL: CHEMBL1449018
ZINC: ZINC000000393922
Wikipedia: N-Isopropyl-N%27-phenyl-1,4-phenylenediamine

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Kit	Cutaneous

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.048 mg/mL	ALOGPS
logP	4.22	ALOGPS
logP	3.66	Chemaxon
logS	-3.7	ALOGPS
pKa (Strongest Basic)	6.42	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	24.06 Å²	Chemaxon
Rotatable Bond Count	4	Chemaxon
Refractivity	73.91 m³·mol^-1	Chemaxon
Polarizability	26.89 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	splash10-004i-0090000000-efcf03877b36053d16fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-49c502f2cc50038ca917
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0190000000-d7e2b75cce10d7b0e72c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-1090000000-6808fc164d0cc522e42c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0573-3920000000-9a9ba200f5ecca99f112
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0apl-2930000000-b6e2f94c5f37d4b0575f
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]-	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

4-(Isopropylamino)diphenylamine

Identification

Structure for 4-(Isopropylamino)diphenylamine (DB14195)

Pharmacology

Interactions

Products

Categories

Chemical Identifiers

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)