zabedosertib - Moligand™, ≥97% , Inhibitor of interleukin 1 receptor associated kinase 4, CAS No.1931994-81-8, Inhibitor of interleukin 1 receptor associated kinase 4

CAS: 1931994-81-8 Cat. No.: Z614936 Summenformel: C₂₀H₂₁N₄O₄F₃S Molekulargewicht: 470.46 PubChem CID: 121364961

GRADE & PURITY Moligand™, ≥97%

Synonyms

1931994-81-8 | EX-A5143 | US10308634, Example 12 | HY-139374 | N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)ethyl]-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | UNII-N1GRK350ZM | N1GRK350ZM | Zabedosertib [INN] | SB74225 | BDBM395297 |

Storage

Room temperature

Specifications

Synonyme

1931994-81-8 | EX-A5143 | US10308634, Example 12 | HY-139374 | N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)ethyl]-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | UNII-N1GRK350ZM | N1GRK350ZM | Zabedosertib [INN] | SB74225 | BDBM395297 |

Spezifikationen & Reinheit

Moligand™, ≥97%

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of interleukin 1 receptor associated kinase 4

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCS(=O)(=O)C)O

IUPAC Name

N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

InChIKey

OQAMEEFUUFJZRS-UHFFFAOYSA-N

INCHI

1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)

Isomere SMILES

CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCS(=O)(=O)C)O

Alternative CAS-Nummer

1931994-81-8

PubChem CID

121364961

MeSH-Eintrag

BAY-1834845;BAY1834845;N-(6-(1-hydroxy-1-methyl-ethyl)-2-(2-methylsulfonylethyl)indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;zabedosertib

Molekulargewicht

470.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Pyridinecarboxamides 2-heteroaryl carboxamides Benzenoids Tertiary alcohols Sulfones Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Indazole - Benzopyrazole - 2-heteroaryl carboxamide - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Sulfonyl - Sulfone - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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)

IRAK4 Tchem Interleukin-1 receptor-associated kinase 4 (0 Activities)

Discover Target: IRAK4

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 470.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 470.124 Da
• Monoisotopic Mass: 470.124 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 787.000
• 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 ≥97% 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 room temperature.

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

The CAS Number is 1931994-81-8, the molecular formula is C20H21N4O4F3S, and the molecular weight is 470.46 g/mol. InChIKey OQAMEEFUUFJZRS-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.