3-(2-Dispiro\[2.0.2.1]heptan-7-ylethoxy)-1H-pyrazole

Basic Product Information Table

1.nature

3-(2-Dispiro [2.0.2.1] hept-7-ylethoxy)-1H-pyrazole is a pyrazole ether compound containing a dispiro [2.0.2.1]heptane (Dispiro[2.0.2.1]heptane) skeleton. The molecule has a highly rigid three-dimensional structure, and the two-spiro backbone confers greater spatial conformational constraints than monocyclic or planar aromatic rings. The predicted density is about 1.26g/cm³, the predicted boiling point is about 390.2°C, and the pKa is about 12.79 (weak acidity of the pyrazole N-H). Computational chemistry data show that XLogP is 2.9, hydrogen bond donor number 1, hydrogen bond acceptor number 2, rotatable bond number 4, topological molecular polar surface area (TPSA)37.9, heavy atom number 15, and molecular complexity 265. Stable at room temperature and pressure, but should avoid contact with strong oxidants, strong acids or strong bases to prevent ring opening or oxidation reactions.

2. uses

this product is the core key intermediate of Wanzakafu (Vanzacaftor). Wanzacafu is a new generation of CFTR modulator developed by Vertex Pharmaceuticals. It is composed of a triple compound preparation with tezacafu (Tezacaftor) and tetecafu (Deutivacaftor) under the trade name ALYFTREK®It is used to treat cystic fibrosis (Cystic Fibrosis, CF). The explicit inclusion of the “3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl” structural fragment in the IUPAC designation of Wanzakafu indicates that this product is an indispensable building block for the construction of its molecular framework.

ALYFTREK®It has been approved by FDA of the United States in December 2024 and approved for listing by European Commission, MHRA of the United Kingdom, TGA of Australia and other multinational regulatory agencies in 2025. It is applicable to cystic fibrosis patients aged 6 years and above who carry at least one non-class I mutation in CFTR gene.

In addition to being a vanzacafu intermediate, the product can also be used as a spiro bioisostere for the development of other new drugs to optimize the water solubility, lipid solubility, conformation restriction and ADMET properties of candidate drug molecules. In the field of pesticide chemistry, pyrazole ether structures can be used to develop new fungicides or insecticides with target selectivity. In addition, its rigid spiral structure can also be used to prepare functional materials with special photoelectric properties in materials science.

3. safety information

there is no clear GHS hazard classification data for this product, and there is no public acute toxicology data. It is recommended to treat it as an unknown toxic compound. Based on the general properties of similar pyrazole ether compounds, they may cause irritation to the skin and eyes, and dust may cause irritation to the respiratory tract. Therefore, protective gloves, goggles, laboratory clothes and dust masks should be worn during operation, and the operation should be carried out in a fume hood. Dry powder, carbon dioxide or foam fire extinguishers can be used to extinguish the fire, and direct current water column can be avoided. If a leak occurs, it should be collected with inert adsorption materials (such as diatomaceous earth) and disposed of as hazardous waste in a closed container to avoid direct discharge into the environment. The waste disposal shall be entrusted to a qualified hazardous waste disposal unit for incineration.

4. our production advantages and capacity

as a research and development and production enterprise focusing on high-end pharmaceutical intermediates such as screw and bridge, our company is deeply engaged in the Wanzakafu (Vanzacaftor) industry chain and has the following core advantages in this key intermediate field:

specialized production of Wanzakafu intermediates: Our company is one of the few enterprises in the industry that have the commercial production capacity of Wanzakafu key intermediates, and has a deep understanding of the synthesis route, quality control and registration requirements of this product. From the core skeleton of dispiro [2.0.2.1] heptane to the target molecule, it has an efficient synthesis process with independent intellectual property rights. The yield of key steps is close to quantitative conversion (patent-grade deprotection process, yield ≥ 99%), and it has mature cyclopropanation and spiro cyclization technologies for the construction of spiro skeleton, ensuring that the product has no chiral isomer mixture and excellent batch-to-batch consistency.

Quality control advantages: conventional supply purity ≥ 98%(HPLC), high purity specifications ≥ 99% can be customized according to customer needs. Equipped with a complete set of analytical instruments such as HPLC, GC-MS, NMR(¹ H/¹ C), LC-MS, etc., providing complete quality documents such as COA, HNMR, LC-MS, IR, etc., and establishing a perfect impurity mass spectrum research system, which can effectively control the residues, isomers and oxidative degradation products of starting materials and meet the strict quality requirements of multinational pharmaceutical companies on starting materials.

Capacity and supply advantages: The existing capacity can meet the demand for orders from kg to ton, with rapid response capability from laboratory test (10g-100g) to industrial scale-up (10kg-100kg/batch). The key starting material 2-snail [2.0.2.1] heptane -7-ethanol (CAS: 2229861-91-8) has been independently produced, the supply chain is safe and stable, and is not affected by external market fluctuations. It can provide long-term, stable and traceable material supply guarantee for Wanzakafu bulk drug manufacturers. Support a variety of packaging specifications (1g / 5g / 25g / 100g / 500g / 1kg / 5kg / 25kg), provide room temperature/cold chain global logistics and distribution services.

If you need to obtain samples, quotations or technical advice of Wanzakafu intermediates, please feel free to contact our sales and technical team.