|
HS Code |
682318 |
| Iupac Name | Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide, 1',2',5,7-tetrahydro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-2'-oxo-, (3'S)- |
| Molecular Formula | C31H29F3N6O3 |
| Molecular Weight | 590.6 g/mol |
| Appearance | Solid (usual form) |
| Cas Number | 2093559-36-3 |
| Smiles | C[C@H]1C(=O)N([C@@H](C2=CC=CC=C2)[C@H]1CC(F)(F)F)C(=O)NC3=CC4=C(C=C3)N5C=NC6=CC=CC5(C4)CC6 |
| Inchi | InChI=1S/C31H29F3N6O3/c1-18-28(41)40(24-9-4-3-5-10-24)30(43)39-22-14-20-11-12-21-13-23(19-29(31(32,33,34)42)38-21)37-27(36-20)16-25(22)26(35-18)15-17-6-2-7-17/h2-7,9-14,18-19,22,25H,8,15-16H2,1H3,(H,35,39,43)/t18-,22-,25-/m0/s1 |
| Solubility | DMSO, methanol (predicted, experimental data may vary) |
| Rotatable Bonds | 6 |
| Chirality | (3S,5S,6R), (3'S) |
As an accredited Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide, 1',2',5,7-tetrahydro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-2'-oxo-, (3'S)- factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | The chemical is packaged in a 10 mg amber glass vial with tamper-evident seal, labeled with compound details and storage conditions. |
| Container Loading (20′ FCL) | 20′ FCL loaded with securely packed drums or containers of the chemical, ensuring safety, labeling, and compliance with DG cargo regulations. |
| Shipping | This compound, Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide (detailed IUPAC), is shipped in sealed, inert containers under cool, dry conditions. Packaging ensures chemical stability and prevents moisture exposure. Transportation complies with all relevant regulations for hazardous or specialty chemicals. Includes appropriate labeling and supporting safety documentation (SDS). |
| Storage | Store **Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide** in a tightly sealed container, protected from light, moisture, and incompatible substances. Keep it at 2–8°C (refrigerator) in a well-ventilated, dry environment. Label properly and handle using standard laboratory safety precautions, including gloves and eye protection. Avoid direct contact and inhalation, and store away from oxidizers and bases. |
| Shelf Life | Shelf life of this chemical is typically 1–2 years when stored at -20°C, dry, and protected from light. |
Competitive Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide, 1',2',5,7-tetrahydro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-2'-oxo-, (3'S)- prices that fit your budget—flexible terms and customized quotes for every order.
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We make Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide with both research and process demands in mind. Handling these spirocyclic structures takes more than just technical know-how — it takes hands-on chemistry. In our experience, minor changes to the synthesis route can tip the entire yield, purity, or downstream performance of the compound. For example, the complexity of the spiro junction linking cyclopenta[b]pyridine and pyrrolo[2,3-b]pyridine cores amplifies sensitivity to both temperature and reagent freshness. Granular control of each batch ensures no unwanted isomers sneak through which can be especially troublesome given the pharmacologically active scaffold of this molecule.
Getting a solid grasp on the chip-away steps necessary for introducing the 1-(2,2,2-trifluoroethyl) group at the piperidinyl position brought us several rounds of process optimization. Our team quickly noticed that running the reductive amination with freshly prepared intermediate gives sharper selectivity. Down the line, this pays off during purification, decreasing both solvent load and waste. We take pride in the subtle gains we make — not only does this approach slash batch-to-batch variation, it drives confidence when the compound progresses from milligram samples to pilot-scale runs.
Chemists know that not all spiro-heterocycles deliver the same performance when it comes to target engagement or synthetic flexibility. In our hands, this particular compound’s scaffold offers far greater rigidity than open-chain analogs, leading to distinct advantages for researchers exploring new pharmacophores or conformationally restricted probes. The dual fused rings constrain the molecular backbone and make these compounds less prone to off-target interactions, an asset for groups aiming at CNS or kinase targets where selectivity matters.
The specific substitution pattern — with the tetrahydro motif at 1',2',5,7, the (3S,5S,6R)-6-methyl and -5-phenyl chiral centers, and the 2-oxo-1-(2,2,2-trifluoroethyl)-3-piperidinyl side chain — pushes the physical properties into an interesting territory. During formulation studies for medicinal chemistry customers, we notice stronger resistance to both acid and base than most non-spiro-configured amides. This allows use in challenging transformations downstream, especially where standard carbonyl chemistry causes decomposition or triggers rearrangement.
Every synthetic chemist deals with the frustration of poorly resolved stereoisomers. Without precise enantioselective synthesis and chiral resolution, end-chain applications can stall. In our own shop, the process features rigorous monitoring for stereochemistry at both the (3'S) and (3S,5S,6R) positions. LC and NMR characterization go hand-in-hand with preparative chiral HPLC when needed, so that every batch maintains reproducibility from research scale upward. Other suppliers sometimes cut corners, using racemic or partially resolved material — but our customers track down every last stereochemical concern.
The trifluoroethyl group at the piperidinyl nitrogen distinguishes this molecule’s lipophilicity and metabolic stability in ADME screens. We heard from several contract research organizations who could not get clean metabolic profiles out of the ethyl analog, which led them to settle on this version instead; the trifluoromethyl group not only blocks unwanted oxidation pathways, but also tunes partition coefficient targets for CNS-active molecules.
Each batch receives custom treatment based on our team’s ongoing feedback loop. Operators regularly leverage off-line crystallization checks and micro-purifications mid-synthesis, looking for early signs of byproduct formation that could affect later steps. Using a modular batch reactor system provides the flexibility to tweak conditions on the fly in ways that rigid plant manufacturing can’t match. Product coming off the reactor faces purity testing right away; we do not just settle for a single measurement. Instead, we look at purity by HPLC, check mass balance by qNMR, and confirm that no problematic silicon, phosphorus, or transition metal residues remain from any catalysts or reagents.
For customers developing this compound into pre-clinical candidates, every impurity matters. Over the years, we noticed some solvolysis-prone byproducts form only under certain solvent/drying regimes; the answer came from switching drying protocols and automating key steps to eliminate manual errors. With tighter protocols, our rejection and rework rates dropped — fewer wasted batches, faster order turnaround, and more reliable supply for both biotech and pharmaceutical teams.
Since we are the actual manufacturer, we see the full lifecycle — from laboratory development, to scale-up, to process transfer. Several years ago, a customer targeting CNS active agents flagged concerns about CNS penetration due to molecular weight and hydrogen bond donor counts. Our chemists shared empirical formulation data so their team could model permeability, building an evidence base for decision-making. Combining our internal analyses with their DMPK feedback, we adjusted particle size parameters and provided custom batches for validation. No distributor could manage this kind of dialogue — only those elbows-deep in the chemistry can nimbly adapt when research pathways twist and turn.
Once, a research group ran into trouble when alternative spiro-heterocycles decomposed unexpectedly during late-stage functionalization attempts. We walked through step-by-step laboratory protocols with their team, extending technical advice past the “sale” to improve real reliability at the bench. Our technical scientists sometimes troubleshoot side reactions in real time, saving weeks of lost synthesis for academic and industrial partners.
We keep a close eye on the evolving needs of customers who work with challenging chemical scaffolds. This spiro compound, with its unique arrangement of aromatic and spiro-fused rings, finds value in both medicinal chemistry and materials science spaces. The model number we apply internally traces every micro-batch’s chain of custody: that means at every step, from raw material qualification to final release analytics, our chemists check for identity, purity, chiral resolution, and stability.
Practically speaking, we find the compound’s melting profile and high organic solubility make it a strong candidate for both solution and solid-phase applications. Standard runs yield a crystalline product, but for those requiring amorphous forms or micronization, we support custom processing. Researchers investigating solid-form screening appreciate this flexibility.
Our strict limit on impurities, typically below 0.2%, reflects hundreds of kilo-scale crystallizations dialed in over several years of manufacture. We don’t rely just on HPLC; we use state-of-the-art 2D NMR, GC-MS, and solid-state methods to make sure every critical attribute aligns with customer expectations, especially for those pushing toward clinical research or regulatory filings.
Customers use this molecule for more than library synthesis. Those working on next-generation kinase inhibitors care about spirocyclic rigidity for modulating selectivity. Others evaluate it as a molecular probe, leveraging both the unique substitution and the chiral piperidinyl group for imaging or activity-based profiling. During fragment-based drug discovery campaigns, we’ve watched research teams cite our molecule’s clean mass spectra and stability as a deciding factor during hit-to-lead progression.
Material scientists explore the electron-rich backbone for organic electronics and as a foundation for supramolecular assemblies. These advanced applications demand every lot match detailed purity and physical property specs to avoid confounding device performance.
Synthesis of spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide puts unique stress on maintaining stereochemical purity and avoiding trace reactivity from intermediates. Years in the lab taught our team that control over water content at specific steps determines final yield and impurity profile. Rigorously selected glassware, freshly prepared reagents, and temperature monitoring help fend off hydrolysis of intermediate carboxamides — mistakes here linger into the final product, complicating isolation.
Waste minimization presents a daily challenge. We systematically recycle solvents and rigorously check spent streams for recoverable compounds. Streamlining filtration and crystallization cycles not only brings down costs, but shrinks turn-around time for new orders.
From our vantage point, plenty of commercial sources offer generic spiro-heterocycles. Yet most fall short when it comes to combination of chirality, stability, and configurational rigidity. Open-chain analogs often give way to rapid racemization or fragment under heat, which blunts their potential for medicinal chemistry. Even alternative spiro-cores, such as those based on spiro[3,3] or [4,4] ring fusions, struggle to match the CNS permeability profiles or provide the synthetic vectors enabled by the larger [6,3’] linkage in our compound.
We see more than just catalog numbers and batch sheets. Each run embodies lessons from failed reactions, last-minute troubleshooting, and incremental process tweaks that collectively raise product quality year after year. Our compound may come off the line with a higher price tag than some generic versions, but repeated user feedback reinforces that reliability and purity drive downstream savings — reducing failed retrosyntheses, purifications, and the endless repetition that comes from low-quality material.
Our manufacturing experience tells a clear story: researchers moving toward the clinic, or advancing unexplored chemical space, need more than just “good enough” material. Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide draws repeat orders because process chemists, structural biologists, and pharmacologists value reliability. Beyond selling a bottle, we partner with teams to meet timelines and regulatory hurdles without batch variability stealing weeks of progress.
In pre-formulation and bioavailability testing, our tighter impurity profiles help remove ambiguity about whether a synthesis challenge comes from the chemistry or the source material. As result, customers meet development milestones sooner, with fewer surprises at scale-up, and see reduced regulatory headaches thanks to fully documented batch histories.
Decades on the manufacturing floor show that innovation thrives when feedback loops run tightly between the chemists and end users. Whether a pharma R&D group seeks custom analogs for SAR expansion, or a large-scale pilot plant needs to tweak reaction scale for environmental compliance, our team rises to the challenge. Even now, process development never stands still. We constantly evaluate green chemistry alternatives, minimize hazardous steps, and scale up greener isolations, because customer requirements are always evolving.
Direct customer dialogue, combined with our own empirical production data, lets us anticipate market shifts and ramp up for both bespoke projects and routine supply. We keep detailed records of every change, every variable tweak, every anomaly, so investigators can count on traceability from one order to the next.
By running our own reactors and managing every QC checkpoint ourselves, we eliminate guesswork. There’s no handoff where accountability falls through. This approach pays dividends when critical deadlines loom or when research directions shift mid-project.
Those choosing us as a supplier of spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide gain more than inventory. Our persistent attention to detail, skilled technical staff, and years of hands-on troubleshooting deliver value from the first sample to process-scale supply. The difference shows up where it matters most: faster discoveries, smoother transitions to scale, and cleaner research outcomes.