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

CAS: 2645-32-1 Cat. No.: P422936 Fórmula: C₇H₅N₅S₂ Peso molecular: 223.28 Número 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

Descripción general

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

Specifications

Sinónimos

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 |

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Nombres e identificadores

Pubchem Sid

528766690

Sonrisas canónicas

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)

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

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
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

USP5 Tchem Ubiquitin carboxyl-terminal hydrolase 5 (172 Activities)

Discover Target: USP5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

Discover Target: USP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (837 Activities)

Discover Target: USP7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP8 Tchem Ubiquitin carboxyl-terminal hydrolase 8 (245 Activities)

Discover Target: USP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP9X Tbio Probable ubiquitin carboxyl-terminal hydrolase FAF-X (500 Activities)

Discover Target: USP9X

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP4 Tchem Ubiquitin carboxyl-terminal hydrolase 4 (12 Activities)

Discover Target: USP4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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