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

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

Visão geral

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 |

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528766690

Sorrisos canónicos

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)

SMILES isoméricas

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

WGK Alemanha

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
    • 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e 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