Ammonium pyrrolidinedithiocarbamate(APDC) - ≥95% , CAS No.5108-96-3

CAS: 5108-96-3 Cat. No.: A103738 Peso molecular: 164.29 Beilstein Registry Number: 3730472 Número EC: 225-834-4

GRADE & PURITY ≥95%

Synonyms

1-Pyrrolidinecarbodithioic acid, ammonuim salt | AC2534 | AKOS000121506 | apdc | MFCD00012720 | NCGC00261718-01 | SCHEMBL463334 | Q-200528 | Ammonium pyrrolidine-1-carbodithioate | BCP24770 | HMS3675D15 | CCG-222337 | HMS3266N09 | P 8765 | 1-Pyrrolidineca

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1-Pyrrolidinecarbodithioic acid, ammonuim salt | AC2534 | AKOS000121506 | apdc | MFCD00012720 | NCGC00261718-01 | SCHEMBL463334 | Q-200528 | Ammonium pyrrolidine-1-carbodithioate | BCP24770 | HMS3675D15 | CCG-222337 | HMS3266N09 | P 8765 | 1-Pyrrolidineca

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

This inhibitor of nuclear factorκB (NF-κB) prevents the increase in NO-synthase mRNA by interleukin-1, without affecting the formation of NO-synthase mRNA produced by cAMP.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CCN(C1)C(=S)[S-].[NH4+]
• IUPAC Name: azanium;pyrrolidine-1-carbodithioate
• InChIKey: MDDIUTVUBYEEEM-UHFFFAOYSA-N
• INCHI: 1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
• Isómeros SMILES: C1CCN(C1)C(=S)[S-].[NH4+]
• WGK Alemania: 3
• Peso molecular: 164.29
• Beilstein: 3730472
• Reaxy-Rn: 10782484
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10782484&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 16.43, Max Conc. mM: 100
• Sensibilidad: Air and heat sensitive；Moisture sensitive
• Punto de fusión (°C): 149-152°C
• Peso molecular: 164.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.044 Da
• Monoisotopic Mass: 164.044 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 91.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

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