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 Summenformel: C₂₀H₁₁F₆N₅O₂ Molekulargewicht: 467.32 EG-Nummer: 874-813-1

GRADE & PURITY 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

Specifications

Synonyme

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 |

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of Janus kinase 2;Inhibitor of MALT1 paracaspase

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504773174
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773174
• Kanonisches Lächeln: 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)
• Isomere SMILES: 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
• Molekulargewicht: 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
    • Klasse Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.