6-Amino-1',2-bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,3,4,7-tetrahydro-1H-spiro[isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile CAS 400085-31-6
| CAS No. | 400085-31-6 |
| Molecular Formula | C28H20Cl2F6N8 |
| Molecular Weight | 653.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 6-Amino-1',2-bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,3,4,7-tetrahydro-1H-spiro[isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile (C28H20Cl2F6N8) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. 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.
6-Amino-1',2-bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,3,4,7-tetrahydro-1H-spiro[isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile (CAS 400085-31-6) is a high-purity analytical reference standard with the molecular formula C28H20Cl2F6N8 and a molecular weight of 653.41 g/mol.
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-Amino-1',2-bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,3,4,7-tetrahydro-1H-spiro[isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile 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 | C28H20Cl2F6N8 |
| Molecular Weight | 653.41 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 8 |
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- Ertugliflozin impurity 25 (CAS CATO-C4X-301125)
- 2,5-Dioxopyrrolidin-1-yl 4-((1,3-bis(tert-butoxycarbonyl)guanidino)methyl)-3-(trimethylstannyl)benzoate (CAS 344791-59-9)
- Ertugliflozin Impurity 53 (CAS 1528636-33-0)
- 4-Hydroxybenzenesulfonic Acid (CAS 98-67-9)
- 3-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine dihydrochloride (CAS 1394662-71-5)
- 2-Bromo-5-methoxy-3,4-dihydronaphthalen-1(2H)-one (CAS 31236-91-6)
- Methyl 1-amino-4-cyano-1H-pyrrole-2-carboxylate (CAS 1000313-12-1)
- Isopropyl 2-Pyridyl Ketone (CAS 59576-30-6)
- 2-Chloro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1256360-28-7)
- 1-Bromo-4-(cyclopropylthio)benzene (CAS 411229-63-5)
- Sodium deoxycholate monohydrate (CAS 145224-92-6)
- 4,4-Difluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylsulfonyl)piperidine (CAS 1628016-72-7)
- Exenatide (CAS 141758-74-9)
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