PR-619 - 10mM in DMSO , CAS No.2645-32-1

CAS: 2645-32-1 Cat. No.: P422936 Formula: C₇H₅N₅S₂ Peso molecolare: 223.28 Numero EC: 803-549-1

GRADE & PURITY 10mM in DMSO

Synonyms

3,5-Bis-thiocyanato-pyridine-2,6-diamine | Thiocyanic acid, C,C'-(2,6-diamino-3,5-pyridinediyl) ester | HMS1440E01 | IDI1_014644 | s7130 | SW208365-2 | (2,6-diamino-5-thiocyanato-3-pyridyl) thiocyanate | HMS3874D13 | 2,6-Diamino-3,5-dithiocyanopyridine |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

PR-619 is a non-selective, reversible inhibitor of the deubiquitinylating enzymes (DUBs) with EC50 of 1-20 μM.

Specifications

Sinonimi

3,5-Bis-thiocyanato-pyridine-2,6-diamine | Thiocyanic acid, C,C'-(2,6-diamino-3,5-pyridinediyl) ester | HMS1440E01 | IDI1_014644 | s7130 | SW208365-2 | (2,6-diamino-5-thiocyanato-3-pyridyl) thiocyanate | HMS3874D13 | 2,6-Diamino-3,5-dithiocyanopyridine |

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

PR-619 is a cell permeable broad spectrum deubiquitylating enzymes (DBUs) inhibitor. PR-619 induces the accumulation of polyubiquitylated proteins in cells without directly affecting proteasome activity.Cell-permeable, non-selective and reversible DUB inh

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

528766690

Sorrisi canonici

C1=C(C(=NC(=C1SC#N)N)N)SC#N

IUPAC Name

(2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanate

InChIKey

ZXOBLNBVNROVLC-UHFFFAOYSA-N

INCHI

1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)

Isomeri SMILES

C1=C(C(=NC(=C1SC#N)N)N)SC#N

WGK Germania

3

Peso molecolare

223.28

Reaxy-Rn

482680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=482680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Thiocyanates Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Thiocyanate - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 223.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 222.999 Da
• Monoisotopic Mass: 222.999 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 261.000
• 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: 1