Ammonium pyrrolidinedithiocarbamate(APDC) - 10mM in DMSO , CAS No.5108-96-3

CAS: 5108-96-3 Cat. No.: A424399 Molecular Weight: 164.29 Beilstein Registry Number: 3730472 EC Number: 225-834-4

GRADE & PURITY 10mM in DMSO

Synonyms

5108-96-3|Ammonium pyrrolidinedithiocarbamate|Ammonium pyrrolidine-1-carbodithioate|Pyrrolidinedithiocarbamate ammonium|apdc|1-Pyrrolidinecarbodithioic acid ammonium salt|PDTC|Ammonium 1-Pyrrolidinedithiocarbamate|Ammonium 1-pyrrolidinecarbodithioate|1-Py

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Ammonium pyrrolidinedithiocarbamate is a nuclear factor κB (NF-κB) inhibitor.It functions as a chelating agent, which allows the preconcentration of trace metals from solution.Pyrrolidinedithiocarbamate (PDTC) has antioxidant properties. It inhibits apoptosis in lymphocytes, neurons and vascular endothelial cells

Specifications

Synonyms

5108-96-3 | Ammonium pyrrolidinedithiocarbamate | Ammonium pyrrolidine-1-carbodithioate | Pyrrolidinedithiocarbamate ammonium | apdc | 1-Pyrrolidinecarbodithioic acid ammonium salt | PDTC | Ammonium 1-Pyrrolidinedithiocarbamate | Ammonium 1-pyrrolidinecarbodithioate | 1-Py

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Pyrrolidinedithiocarbamic acid (PDTC) ammonium salt is a potent inhibitor of NF κB (Nuclear Factor κB). Experiments show that micromolar amounts of this compound suppress IL-1β and completely inhibit the increase of nitric oxide synthase mRNA in response

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CCN(C1)C(=S)[S-].[NH4+]
• WGK Germany: 3
• Molecular Weight: 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
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air and heat sensitive、Hygroscopic
• Melt Point(°C): 149-152°C
• Molecular Weight: 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

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