3-(2-(Azepan-1-yl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine hydrochloride CAS 34580-69-3
| CAS No. | 34580-69-3 |
| Molecular Formula | C39H54N10O13S |
| Molecular Weight | 902.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-(2-(Azepan-1-yl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine hydrochloride (CAS 34580-69-3), molecular formula C39H54N10O13S and molecular weight 902.97 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(2-(Azepan-1-yl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine hydrochloride (C39H54N10O13S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C39H54N10O13S |
| Molecular Weight | 902.97 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1966 |
| Nitrogen Atoms | 10 |
| Sulfur Atoms | 1 |
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Recommended Standards
- cis-Hydro(diphenylsilyl)bis(triphenylphosphine)platinum (CAS 40869-79-2)
- γ-Amanitin (CAS 21150-23-2)
- 6-(2,5-dioxopyrrol-1-yl)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²¹¹.0⁴⁹.0¹⁵²º]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylamino]-2-oxo-ethoxy]methylamino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]hexanamide (CAS 2414594-29-7)
- Methylsulfanylethene (CAS 1822-74-8)
- [2-(piperazin-1-yl)ethyl](propan-2-yl)amine (CAS 1307634-07-6)
- 4-(1-Bromoethyl)benzoic acid (CAS 113023-73-7)
- 6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol (CAS 5334-26-9)
- 3-Phenyl-6,7-dihydro-1H-indazol-4(5H)-one (CAS 96546-38-2)
- methyl 7-bromo-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylate (CAS 2092688-37-2)
- Difelikefalin Impurity 53 (CAS CATO-C4X-304153)
- Vincristine EP Impurity A (CAS CATO-C4X-20891)
- 2,4-Dimethyloctane (CAS 4032-94-4)
- 6-Chloro-N-hydroxypyridine-2-carboxamide (CAS 125309-38-8)
- Semaglutide Impurity 122 (CAS CATO-C4X-2226122)
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