Aminotadalafil Article
Aminotadalafil
Aminotadalafil is a structural analog of tadalafil, modified with an amino functional group on its core chemical scaffold. This precise structural modification alters its physical and chemical properties while maintaining key structural features relevant to phosphodiesterase type 5 (PDE5) research. It serves as a vital tool in laboratory settings for evaluating enzyme binding dynamics, selectivity profiles, and comparative biochemistry.
Technical Specifications
| Property | Specification |
|---|---|
| Product Name | Aminotadalafil (Amino Tadalafil) |
| CAS Number | 385769-84-6 |
| IUPAC Name | (2R,8R)-6-amino-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| Molecular Formula | C₂₁H₁₈N₄O₄ |
| Molecular Weight | 390.40 g/mol |
| Chemical Class | β-Carboline-derived Tadalafil analog / PDE5 inhibitor analog |
| Physical Form | White to off-white crystalline powder |
| Solubility Profile | Soluble in DMSO (15 mg/mL) and DMF (15 mg/mL); poorly soluble in aqueous buffers |
| Solution Base | PEG-400/DMSO |
Core Areas of Research Interest
Aminotadalafil is widely utilized in medicinal chemistry and comparative pharmacology studies. By introducing a primary amine substitution onto the classic tadalafil structure, researchers are able to map out subtle changes in enzyme kinetics and structural tolerance.
Key investigative fields include:
-
Structure-Activity Relationships (SAR): Examining how structural variations in the core scaffold impact binding affinity and comparative molecular footprinting against baseline PDE5 inhibitors.
-
Enzyme Inhibition Kinetics: Studying in vitro binding selectivity, displacement rates, and downstream cyclic guanosine monophosphate (cGMP) stabilization patterns.
-
Metabolic Stability Profiling: Assessing chemical vulnerability to enzymatic breakdown and documenting degradative pathways in closed laboratory systems.
-
Computational Modeling: Serving as a structural reference point to validate predictive docking algorithms and virtual library screenings.
Handling and Laboratory Storage
To protect the structural integrity of the compound during analytical workflows, adhere to standard chemical preservation protocols:
-
Storage Environment: Store in a cool, dry, and dark environment, ideally sealed under inert gas or inside a low-temperature freezer for long-term stabilization.
-
Reconstitution: Dissolve using high-grade, validated organic solvents such as DMSO or DMF before introducing it to experimental buffer assays.
-
Safety Protocols: Utilize standard laboratory personal protective equipment (PPE), including gloves, lab coats, and safety eyewear, during handling and mass measurements.
Related Research Compounds
Further reading: Aminotadalafil research overview
Frequently Asked Questions
How does Aminotadalafil differ structurally from standard Tadalafil?
Aminotadalafil contains a specific primary amine modification on its core scaffold. This substitution alters its baseline electronic properties, molecular weight, and solubility profile while retaining the foundational architecture needed for PDE5 comparative assays.
Is Aminotadalafil approved for therapeutic use?
No. Aminotadalafil is not a licensed pharmaceutical or therapeutic agent. It lacks FDA evaluation or approval and is designated exclusively for laboratory research purposes.
What is the recommended solvent for this compound?
Aminotadalafil demonstrates very poor solubility in water but dissolves readily in organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF). Solid samples should be completely brought into solution before addition to assay environments.
Analytical Documentation
Purity, identity, and composition vary by manufacturing lot. Kimera Chems does not publish a single fixed purity figure for this item; refer to the batch-specific Certificate of Analysis (COA) issued for the lot received, which reflects third-party analytical testing for that lot. Contact us if a COA for your lot is required.
Research Use Only Disclaimer: This product is synthesized, distributed, and sold strictly as a Research Use Only (RUO) compound intended exclusively for in vitro laboratory evaluation and analytical testing. Kimera Chems does not supply this compound for human consumption, veterinary use, or any form of clinical therapeutic applications.
