6-(1,4-Diazepan-1-yl)-1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine CAS 952182-36-4
| CAS No. | 952182-36-4 |
| Molecular Formula | C14H18F3N5 |
| Molecular Weight | 313.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 313.32 g/mol gives 6-(1,4-Diazepan-1-yl)-1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-(1,4-Diazepan-1-yl)-1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (CAS 952182-36-4), molecular formula C14H18F3N5 and molecular weight 313.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-(1,4-Diazepan-1-yl)-1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (C14H18F3N5) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 313.32 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 6-(1,4-Diazepan-1-yl)-1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C14H18F3N5 |
| Molecular Weight | 313.32 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related Diazepan Standards
- 4-(1,4-Diazepan-1-yl)-6-fluoro-2-(trifluoromethyl)quinoline (CAS 541539-67-7)
- 4-(1,4-Diazepan-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline (CAS 541539-71-3)
- 4-(4-Benzyl-1,4-diazepan-1-yl)-6-chloropyrimidin-2-amine (CAS 1259158-01-4)
- [[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl]-(phenyl)amino]acetic acid (CAS 1142212-05-2)
- 2-(1,4-Diazepan-1-yl)-6,7-dimethoxyquinazolin-4-amine (CAS 52712-89-7)
- 2-(1,4-Diazepan-1-yl)-1-(4-fluorobenzyl)-1H-benzo[d]imidazole (CAS 770690-79-4)
- 4-(4-Benzyl-1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine (CAS 1355486-67-7)
- 2-((1,4-Diazepan-1-yl)sulfonyl)benzo[d]thiazole (CAS 1411763-06-8)
Recommended Standards
- 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanoic acid (CAS 924220-43-9)
- Benzyl 2-Acetamido-2,4-dideoxy-4-fluoro-α-D-glucopyranose (CAS 290819-73-7)
- 3-((Tert-butoxycarbonyl)amino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid (CAS 886506-21-4)
- Methyl 3-(2-fluorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 383148-35-4)
- 4-Bromo-2-hydroxy-5-methylbenzaldehyde (CAS 1427373-22-5)
- Saikosaponin H (CAS 91990-63-5)
- ethyl (1R,3R,4R)-4-fluoro-3-hydroxycyclohexane-1-carboxylate (CAS 1932015-48-9)
- Delta7-Avenasterol (E/Z mixture) (CAS 23290-26-8)
- 2-(Benzo[d]thiazol-2-yl)-4-methyloxazole (CAS 93472-34-5)
- 2-((O-tolylamino)methyl)phenol (CAS 17106-94-4)
- 2,7-Dimethylbenzo[1,2-d:4,3-d']bis(thiazole) (CAS 17281-27-5)
- 3-Bromo-1-(1-ethoxyethyl)-1H-1,2,4-triazole (CAS 1785763-53-2)
- tert-butyl ((S)-5-amino-6-oxo-6-(((S)-1-phenylpropan-2-yl)amino)hexyl)carbamate (CAS 27266572-58-1)
- Prolactin-Releasing Peptide (1-31) (rat) (CAS 215510-06-8)
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