N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

C14H13F3N6O5S

CAS422556-08-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
422556-08-9
EC Number
610-007-6
UN Number
3077
Index Number
613-327-00-4
PubChem CID
11571555

Physical-chemical properties

Molecular Formula
C14H13F3N6O5S
Molar Mass
434.35 g/mol
IUPAC Name
N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

Chemical Identifiers

InChI
InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
InChI Key
GLBLPMUBLHYFCW-UHFFFAOYSA-N

Overview

N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (CAS 422556-08-9) is a complex heterocyclic sulfonamide compound with triazolopyrimidine and trifluoromethylpyridine structural features. This sophisticated organic compound features a molecular weight of 434.35 g/mol and incorporates multiple heterocyclic ring systems, including a triazolopyrimidine core linked to a trifluoromethylpyridine sulfonamide moiety. The presence of methoxy substituents and the trifluoromethyl group contributes to its unique chemical properties and biological activity profile. The compound's complex structure, similar to other heterocyclic compounds like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine, makes it particularly valuable in specialized chemical applications. From a safety perspective, this substance is classified with skin sensitization properties (Skin Sens. 1) and presents aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1), requiring careful handling protocols. The compound carries GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate hazard levels that necessitate appropriate personal protective equipment during handling and storage. Industrial applications of this triazolopyrimidine derivative primarily focus on pharmaceutical intermediate synthesis and specialized chemical research. The compound serves as a valuable building block in medicinal chemistry research, particularly in the development of bioactive molecules. Additionally, its unique structural features make it suitable for advanced materials research and as a reference standard in analytical chemistry applications. OYSI maintains reliable supply chains for this specialized heterocyclic compound, ensuring consistent availability for European technical and research applications through our established distribution network.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NamePyroxsulam (ISO)
Marine PollutantNo

Frequently Asked Questions

What is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is a complex heterocyclic organic compound with the molecular formula C14H13F3N6O5S and CAS number 422556-08-9. This sulfonamide derivative features both triazolopyrimidine and pyridine ring systems, with a molecular weight of 434.35 g/mol. The compound contains multiple functional groups including methoxy, trifluoromethyl, and sulfonamide moieties, making it structurally complex and potentially bioactive.

What are the physicochemical properties of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

This compound has a molecular weight of 434.35 g/mol and molecular formula C14H13F3N6O5S. The presence of trifluoromethyl groups typically imparts lipophilic character, while the sulfonamide and methoxy groups contribute to polar interactions. The multiple nitrogen-containing heterocycles suggest potential for hydrogen bonding. The exact physical state, color, odor, and solubility data would need to be determined experimentally or sourced from detailed technical specifications, as these properties are not standardly reported for this specialized compound.

What is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide used for?

This compound is primarily used in pharmaceutical research and development applications. The triazolopyrimidine-pyridine sulfonamide structure suggests potential use as a pharmaceutical intermediate or active pharmaceutical ingredient (API). Such complex heterocyclic compounds are often employed in medicinal chemistry for drug discovery programs, particularly in developing treatments where specific molecular interactions are required. The compound may also serve research purposes in academic and industrial laboratories studying bioactive molecules or synthetic methodology development.

How to handle N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide safely?

This compound requires careful handling due to its Skin Sens. 1 classification, indicating it may cause allergic skin reactions. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin and eye contact. Use proper handling techniques to prevent dust generation and cross-contamination. Ensure personnel are trained in chemical safety protocols and have access to safety data sheets before handling.

How to store N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide correctly?

Store this compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from incompatible materials and oxidizing agents. Maintain proper inventory controls and labeling according to GHS requirements. Regular inspection of storage containers and conditions is recommended to ensure product integrity and safety compliance.

What to do in case of contact with N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Given the skin sensitization potential, monitor for allergic reactions and seek medical advice if symptoms develop. Always consult the safety data sheet for complete first aid procedures.

How to dispose of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide appropriately?

This compound requires special disposal consideration due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating high environmental toxicity. Dispose of through licensed hazardous waste disposal companies in accordance with local, national, and EU regulations. Never discharge to sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste. Maintain proper documentation of disposal activities. Consider waste minimization strategies and recycling options where technically and economically feasible, following pharmaceutical waste management guidelines.

How to transport N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

This compound is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, indicating it presents relatively lower transport risk. Packaging must comply with UN packaging requirements for Class 9 substances. Proper shipping documentation including dangerous goods declarations must accompany shipments. Vehicles and personnel involved in transport must meet ADR certification requirements. Ensure packages are properly labeled with appropriate hazard markings and emergency contact information. Follow specific routing and handling requirements for Class 9 dangerous goods during European transport.

Is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide subject to specific regulations?

This compound is subject to EU REACH regulation requiring registration, evaluation, and authorization for commercial use. It must be classified and labeled according to CLP regulation, displaying GHS07 and GHS09 pictograms with Warning signal word. While not currently identified as a Substance of Very High Concern (SVHC), it requires compliance with standard chemical safety requirements. Users must maintain safety data sheets, conduct risk assessments, and implement appropriate risk management measures. Pharmaceutical applications may require additional regulatory compliance depending on intended use.

Where to buy N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide in Europe?

OYSI is a reliable European distributor for this specialized compound, offering professional chemical supply services across Europe. As a specialized pharmaceutical intermediate, this compound is typically available through established chemical distributors serving research institutions and pharmaceutical companies. OYSI provides comprehensive technical support, regulatory documentation, and quality assurance for chemical products. Contact OYSI directly for availability, specifications, and pricing information. Ensure your supplier provides complete documentation including certificates of analysis and safety data sheets for regulatory compliance.

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N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.