CSN5i-3 - ≥99% , CAS No.2375740-98-8

CAS: 2375740-98-8 Cat. No.: C648681 Fórmula: C₂₈H₂₉F₂N₅O₂ Peso molecular: 505.56 PubChem CID: 129892190

GRAU & PUREZA ≥99%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

CSN5i-3 is a potent, selective and orally available inhibitor of CSN5/Jab1 , and inhibits CSN-catalysed Cul1 deneddylation with an IC 50 value of 5.8 nM

In Vitro

CSN5i-3 traps CRLs in the neddylated state, which leads to inactivation of a subset of CRLs by inducing degradation of their substrate recognition module. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

CSN5i-3 shows a good pharmacokinetic profile. CSN5i-3 inhibits growth of human xenograft. Treatment with CSN5i-3 triggers the formation of cleaved PARP and cleaved caspase 3 indicative of apoptosis induction . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 5.8 nM (CSN5)

Especificações

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

CSN5i-3 is a potent, selective and orally available inhibitor of CSN5/Jab1 , and inhibits CSN-catalysed Cul1 deneddylation with an IC 50 value of 5.8u2009nM.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC(C)N1C(=CC(=N1)C(F)F)C(=O)NC2=CC(=C(C=C2)C3C(CCCC4=CN=CN34)O)C5=CC=CC=C5

IUPAC Name

5-(difluoromethyl)-N-[4-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]-3-phenylphenyl]-2-propan-2-ylpyrazole-3-carboxamide

InChIKey

ANNKHJQLDMGQFM-UIOOFZCWSA-N

INCHI

1S/C28H29F2N5O2/c1-17(2)35-24(14-23(33-35)27(29)30)28(37)32-19-11-12-21(22(13-19)18-7-4-3-5-8-18)26-25(36)10-6-9-20-15-31-16-34(20)26/h3-5,7-8,11-17,25-27,36H,6,9-10H2,1-2H3,(H,32,37)/t25-,26-/m0/s1

SMILES isoméricas

CC(C)N1C(=CC(=N1)C(F)F)C(=O)NC2=CC(=C(C=C2)[C@H]3[C@H](CCCC4=CN=CN34)O)C5=CC=CC=C5

PubChem CID

129892190

Termos de entrada MeSH

3-(difluoromethyl)-N-(6-((5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo(1,5-a)azepin-5-yl)-(1,1'-biphenyl)-3-yl)-1-isopropyl-1H-pyrazole-5-carboxamide;CSN5 inhibitor 3;CSN5i-3

Peso molecular

505.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Biphenyls and derivatives Pyrazole-5-carboxamides 2-heteroaryl carboxamides Azepines N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Biphenyl - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Azepine - N-substituted imidazole - Heteroaromatic compound - Pyrazole - Imidazole - Azole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = 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)

COPS5 Tchem COP9 signalosome complex subunit 5 (1 Activities)

Discover Target: COPS5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 100 mg/mL (197.80 mM)