(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

C17H26N8O5

CAS2079-00-7
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
2079-00-7
UN Number
2588
Index Number
607-155-00-9
PubChem CID
170012

Physical-chemical properties

Molecular Formula
C17H26N8O5
Molar Mass
422.40 g/mol
IUPAC Name
(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

Chemical Identifiers

InChI
InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1
InChI Key
CXNPLSGKWMLZPZ-ZNIXKSQXSA-N

Overview

(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid (CAS 2079-00-7) is a complex nucleoside analog with significant biological activity and acute toxicity properties. This highly specialized organic compound features a molecular formula of C17H26N8O5 and a molecular weight of 422.4 g/mol. The molecule combines a pyrimidine base structure with an amino acid derivative through a distinctive pyran ring system, creating multiple chiral centers that contribute to its stereochemical complexity. Its structural architecture includes several functional groups including amino, carboxylic acid, and carbamimidoyl moieties, which are responsible for its unique chemical and biological properties. The compound is classified under acute toxicity category 2 according to GHS classification, requiring the danger signal word and GHS06 pictogram for skull and crossbones. This classification necessitates careful handling protocols and specialized storage conditions. Transportation falls under ADR class 6.1, reflecting its toxic nature and requiring appropriate shipping documentation and packaging standards. In industrial applications, this nucleoside analog finds primary use in pharmaceutical research and development, particularly in antiviral and anticancer drug synthesis pathways. It serves as an important intermediate in the production of nucleoside-based therapeutics and as a research tool in biochemical studies. The compound also has applications in specialized chemical synthesis where its unique structural features make it valuable for creating complex molecular architectures. Unlike simpler compounds such as 2-chloro-N,N,6-trimethylpyrimidin-4-amine, this molecule's complexity allows for highly specific biological interactions. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial and research applications throughout Europe.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H300

Fatal if swallowed.

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

Ingestion

Fatal

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number2588
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameBlasticidin-S
Marine PollutantNo

Frequently Asked Questions

What is (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid?

(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid is a complex organic compound with the molecular formula C17H26N8O5 and CAS number 2079-00-7. This substance has a molecular weight of 422.4 g/mol and features multiple amino groups, a pyrimidine ring, and a pyran structure. It is classified as acutely toxic (Category 2) under GHS classification, requiring careful handling and specialized safety measures.

What are the physicochemical properties of (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid?

This compound is a complex organic molecule with molecular formula C17H26N8O5 and molecular weight 422.4 g/mol. The presence of multiple amino groups, carboxylic acid functionality, and nitrogen-containing heterocycles suggests it is likely a polar compound with potential for hydrogen bonding. The stereochemistry is defined with specific (2S,3S,6R) and (3S) configurations. Detailed physicochemical data such as melting point, boiling point, and solubility would require specific analytical characterization.

What is (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid used for?

This compound is typically used in specialized chemical research and pharmaceutical applications due to its complex structure containing amino acid-like components and nucleoside-related moieties. The presence of pyrimidine and amino acid residues suggests potential applications in biochemical research, pharmaceutical intermediates, or as a research tool in medicinal chemistry. Its specific stereochemistry indicates it may be designed for particular biological interactions or synthetic pathways requiring precise molecular recognition.

How to handle (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid safely?

This substance requires extreme caution during handling as it is classified as Acute Tox. 2 with the danger signal word and GHS06 pictogram. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in a well-ventilated area or under a fume hood. Avoid skin contact, inhalation, and ingestion. Use appropriate containment measures to prevent spills and ensure trained personnel handle this material following established safety protocols.

How to store (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid correctly?

This substance should be stored in a secure, well-ventilated area away from heat, ignition sources, and incompatible materials. Due to its acute toxicity classification, storage must be in appropriate chemical-resistant containers with proper labeling including GHS06 pictogram and danger signal word. Access should be restricted to authorized personnel only. The storage area should be equipped with appropriate spill control materials and emergency equipment. Temperature and humidity conditions should be controlled to maintain product integrity.

What to do in case of contact with (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid?

Immediate medical attention is required due to the substance's Acute Tox. 2 classification. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately and monitor breathing. For eye contact, flush with water for at least 15 minutes. If ingested, do not induce vomiting and seek immediate medical attention. Always have the safety data sheet available for medical personnel.

How to dispose of (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid appropriately?

This substance must be disposed of as hazardous waste due to its Acute Tox. 2 classification. Disposal must comply with local, national, and international regulations for toxic substances. Contact licensed hazardous waste disposal companies for proper collection and treatment. Never dispose of this material through regular waste streams, sewers, or waterways. Containers should be properly cleaned and disposed of according to hazardous waste regulations. Maintain detailed disposal records for regulatory compliance.

How to transport (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid?

This substance is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating significant transportation hazards. Transport requires appropriate UN-specification packaging, proper labeling with Class 6.1 toxic labels, and accompanying transport documents. Only authorized carriers trained in dangerous goods transportation should handle shipments. Vehicles must carry appropriate emergency equipment and spill control materials. Compliance with ADR regulations, including segregation requirements and routing restrictions, is mandatory for road transport within Europe.

Is (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid subject to specific regulations?

This substance is subject to REACH regulation requiring registration, evaluation, and authorization within the EU. It falls under CLP regulation for classification, labeling, and packaging as Acute Tox. 2. While not currently identified as SVHC, its acute toxicity classification means strict compliance with occupational health and safety regulations is required. Users must maintain safety data sheets, implement risk management measures, and ensure proper worker training. Import/export may require additional permits depending on jurisdiction.

Where to buy (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid in Europe?

OYSI is a specialized European distributor offering this highly specific chemical compound to qualified customers. As an established chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this Acute Tox. 2 substance. Due to the compound's hazardous classification, purchase is typically restricted to qualified industrial users, research institutions, and licensed professionals with appropriate handling capabilities and safety infrastructure.

Services for (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

ADR Consulting for (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid 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.