KimeraCHEMS- C
- N
- O
Calculated reference model · not an experimental or batch-certified structure. All 31 atoms shown.
Model data & sources
- Heavy atoms only; hydrogens are omitted from the reference display.
- Source-defined stereochemistry is checked against the calculated coordinates; no energy-minimum, crystal or solution-structure claim is made.
- Reference molecular species only; batch identity, purity, counterions and excipients are not certified.
- Formula
- C24H23N3O4
- Method
- RDKit ETKDGv3 / MMFF94s calculated reference conformer
- Batch
- KC-NPT-01
N-Isopropyl Tadalafil
Phosphodiesterase InhibitorsPublished formats
- Powder 1g
- Liquid Dropper 30ml/20mg Per ml/600mg
- Tablets 30ct/20mg/600mg
What is the difference between these?
- Powder
- Raw material as a solid. Nothing added and nothing portioned; the stated weight is what is in the container.
- Liquid Dropper
- The compound already in solution, in a dropper bottle. The label gives the amount per millilitre, the bottle volume and the total.
- Tablets
- Pressed tablets. The label gives the amount in each tablet and the number in the bottle.
Supplementary product details from the published catalog, checked 2026-10-07. These reference details do not establish current availability.
Pricing
Pricing and order placement are reserved for reviewed research accounts. Log in or submit an account application to view current product pricing.
Technical Specifications
Batch COA Database ↗Identity fields from the published product record, checked 2026-10-07. Reference information is not a batch identity certificate.
Research Overview
N-Isopropyl Tadalafil (Isopropylnortadalafil) Research Standard
N-Isopropyl Tadalafil (Isopropylnortadalafil) is a synthetic structural analog of tadalafil, classified within the tetrahydro-β-carboline (pyrazinopyridoindole-dione) class of phosphodiesterase type 5 (PDE5) inhibitors. Characterized by an N-isopropyl substitution on the terminal nitrogen of the piperazinedione ring, this compound serves as a specialized analytical reference standard. It is primarily utilized in forensic and pharmaceutical research to distinguish between closely related tadalafil derivatives, requiring orthogonal analytical methods for definitive structural elucidation.
Physical & Handling Properties
| Property | Specification |
|---|---|
| Physical Appearance | Lyophilized / Solid powder |
| Solution Base | PEG400, DMSO |
Mechanism of Action & Structural Context
N-Isopropyl Tadalafil functions as a structural analog that engages the catalytic site of the PDE5 enzyme, similar to the parent compound, tadalafil.
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Structural Modification: The replacement of the N-methyl group (found in tadalafil) with an N-isopropyl group results in a mass shift of +28.05 (C2H4). This subtle modification is critical for researchers studying Structure-Activity Relationships (SAR) within the pyrazinopyridoindole-dione scaffold.
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Stereochemistry: The compound maintains the (6R,12aR) stereochemical configuration of the tadalafil scaffold. This stereospecificity is a primary determinant of binding affinity; therefore, analytical identification requires precise separation from other positional isomers.
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Enzyme Interaction: As a designer analog, it serves as a ligand to probe the steric and electronic constraints of the PDE5 catalytic pocket, allowing researchers to compare how branched alkyl chain substituents alter binding kinetics relative to linear counterparts.
Research Applications
Due to its positional and isobaric proximity to other tadalafil derivatives (e.g., nortadalafil, hydroxyethylnortadalafil), this compound is a critical reagent for high-fidelity analytical research.
Primary fields of in vitro laboratory investigation include:
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Orthogonal Method Development: Utilizing LC-HRMS (Liquid Chromatography-High Resolution Mass Spectrometry) and NMR (Nuclear Magnetic Resonance) to establish definitive structural fingerprints that separate N-isopropyl variants from other tadalafil homologs.
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Forensic & Pharmaceutical Analysis: Acting as an analytical reference material for the detection of designer PDE5-inhibitor analogs in complex samples.
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SAR Analysis: Investigating how the N-isopropyl substituent modulates enzyme-binding energy compared to standard tadalafil.
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Impurity Profiling: Providing a benchmark for the identification of potential synthetic by-products in PDE5-inhibitor chemical synthesis.
Storage & Handling Guidelines
Store at controlled room temperature. Keep tightly closed. Liquid formats: do not refrigerate or freeze. Cold storage may cause the solution to cloud or precipitate. If this occurs, return to room temperature and mix until clear.
Storage guidance is a house recommendation. Analytical documentation is per-lot release testing.
References
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Veldman K, et al. (2013) Identification and characterization of unapproved tadalafil analogs in dietary supplements. Journal of Pharmaceutical and Biomedical Analysis. 80:12–19.
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Venhuis BJ, et al. (2011) Designer drugs in herbal supplements: the identification of N-isopropyl tadalafil. Journal of Pharmaceutical and Biomedical Analysis. 55(4):1128–1132.
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FDA Laboratory Information Bulletin. (2012) Detection and Structural Elucidation of Tadalafil Analogs by LC-HRMS.
Related Research Compounds
Further reading: N-Isopropyl Tadalafil research overview
Research Use Disclaimer
Research Use Only Disclaimer: This product is labeled and sold "For Research Use Only — NOT FOR HUMAN CONSUMPTION." It is not a drug, dietary supplement, food, cosmetic, or medical device, and it is not approved by the FDA or any other regulator for human or veterinary use. It is supplied to approved account holders as a research chemical for laboratory use and must be handled in accordance with applicable law.
Certificates of Analysis
- Batch KC-NPT-01 2 reports
Currently shipping from batch KC-NPT-01.
Compounds That Survive Scrutiny
Research use only. Not for human or veterinary use.