JNJ-67856633 - Moligand™, ≥98% , Inhibitor of Janus kinase 2;Inhibitor of MALT1 paracaspase, CAS No.2230273-76-2, Inhibitor of Janus kinase 2;Inhibitor of MALT1 paracaspase

CAS: 2230273-76-2 Cat. No.: J420001 Fórmula: C₂₀H₁₁F₆N₅O₂ Peso molecular: 467.32 Número CE: 874-813-1

GRAU & PUREZA Moligand™, ≥98%

Synonyms

APWRZPQBPCAXFP-UHFFFAOYSA-N | SAFIMALTIB [INN] | safimaltib | SCHEMBL23417687 | 1-(1-Oxo-1,2-dihydro-5-isoquinolyl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridyl]pyrazole-4-carboxamide | GTPL11883 | Safimaltib [WHO-DD] | MFCD34475932 | L9790S42AI |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

APWRZPQBPCAXFP-UHFFFAOYSA-N | SAFIMALTIB [INN] | safimaltib | SCHEMBL23417687 | 1-(1-Oxo-1,2-dihydro-5-isoquinolyl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridyl]pyrazole-4-carboxamide | GTPL11883 | Safimaltib [WHO-DD] | MFCD34475932 | L9790S42AI |

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of Janus kinase 2;Inhibitor of MALT1 paracaspase

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504773174

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773174

Sorrisos canónicos

C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=NC=C4)C(F)(F)F)C(F)(F)F

IUPAC Name

1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)pyridin-4-yl]pyrazole-4-carboxamide

InChIKey

APWRZPQBPCAXFP-UHFFFAOYSA-N

INCHI

1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)

SMILES isoméricas

C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=NC=C4)C(F)(F)F)C(F)(F)F

Peso molecular

467.32

Reaxy-Rn

32944715

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32944715&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Pyrazole-4-carboxamides Polyhalopyridines Pyridinones Dihydropyridines 2-halopyridines N-acyl amines Benzenoids Vinylogous amides Secondary ketimines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Hydrazones Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Pyrazole-4-carboxamide - Polyhalopyridine - 2-halopyridine - Pyridinone - Dihydropyridine - Benzenoid - Pyridine - N-acyl-amine - Heteroaromatic compound - Vinylogous amide - Secondary ketimine - Azole - Lactam - Ketimine - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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)

MALT1 Tchem Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (0 Activities)

Discover Target: MALT1

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (0 Activities)

Discover Target: JAK2

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

Propriedades químicas e físicas

• Peso molecular: 467.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 467.082 Da
• Monoisotopic Mass: 467.082 Da
• Topological Polar Surface Area: 88.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 788.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2230273-76-2, the molecular formula is C20H11F6N5O2, and the molecular weight is 467.32 g/mol. InChIKey APWRZPQBPCAXFP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.