(R)-1-(3-Aminobenzo[d]isoxazol-5-yl)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one CAS 280118-23-2
| CAS No. | 280118-23-2 |
| Molecular Formula | C31H27F3N6O3 |
| Molecular Weight | 588.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
(R)-1-(3-Aminobenzo[d]isoxazol-5-yl)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one (CAS 280118-23-2), molecular formula C31H27F3N6O3 and molecular weight 588.58 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (R)-1-(3-Aminobenzo[d]isoxazol-5-yl)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one (C31H27F3N6O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 588.58 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C31H27F3N6O3 |
| Molecular Weight | 588.58 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
Related R Standards
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- N-(3-aminobenzo[a]pyren-6-yl)-2'-deoxy-Guanosine (CAS 149635-27-8)
- N-(2-Aminobenzo[d]thiazol-6-yl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CAS 1706448-51-2)
- N-(2-Aminobenzo[d]thiazol-6-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide (CAS 1706450-90-9)
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- N-(2-Aminobenzo[d]thiazol-6-yl)-2-(4-chloro-3-methylphenoxy)acetamide (CAS 1706450-85-2)
- N-(2-Aminobenzo[d]thiazol-6-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CAS 1706458-84-5)
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Recommended Standards
- Human IgE Pentapeptide HEPP (CAS 62087-72-3)
- Ethyl 5-[3-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-amido]-4-cyano-3-methylthiophene-2-carboxylate (CAS 625377-78-8)
- Roxadustat Impurity 37 (CAS CATO-C4X-221337)
- 6,6',6''-(Benzene-1,3,5-triyl)tris(2-naphthoic acid) (CAS 1383916-83-3)
- 2-(4-(Trifluoromethoxy)phenoxy)ethanethioamide (CAS 952183-07-2)
- 4-Bromo-7-fluoro-6-methoxycinnoline (CAS 949159-94-8)
- Lidamidine HCl (CAS 65009-35-0)
- Methyl (R)-2-amino-3-(o-tolyl)propanoate (CAS 1212875-15-4)
- 5-(2-methylpropyl)-1,2-dihydropyrazin-2-one (CAS 1927883-37-1)
- 2-((2-(Pyrrolidin-1-yl)ethyl)thio)nicotinic acid (CAS 1042779-48-5)
- (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) (CAS 47861-42-7)
- 3-(4-Chlorophenyl)tetrahydro-2H-pyran (CAS 1467061-91-1)
- 2,6-Bis((4S,5S)-4,5-bis(4-(perfluorohexyl)phenyl)-4,5-dihydrooxazol-2-yl)pyridine (CAS 2778288-45-0)
- (Des-Thr7)-Glucagon trifluoroacetate salt (CAS 1802078-28-9)
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