zasocitinib - Moligand™ , Inhibitor of tyrosine kinase 2, CAS No.Z614948, Inhibitor of tyrosine kinase 2

CAS: Z614948 Cat. No.: Z614948 PubChem CID: 137441492

GRADE & PURITY Moligand™

Synonyms

SCHEMBL20678921 | N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5- [(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5- a]pyrimidine-3-carboxamide | compound I-908 [US20190256519A1] | TAK279 | TAK-279 | Zasocitinib | BDBM424361 | N-[(1R,2R)-2-methoxycy

Storage

Room temperature

Specifications

Synonyme

SCHEMBL20678921 | N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5- [(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5- a]pyrimidine-3-carboxamide | compound I-908 [US20190256519A1] | TAK279 | TAK-279 | Zasocitinib | BDBM424361 | N-[(1R,2R)-2-methoxycy

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of tyrosine kinase 2

Namen und Kennungen

Kanonisches Lächeln

CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC)Nc1cccn(c1=O)c1ccccn1

IUPAC Name

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

InChIKey

BWINBHTTZLVXGT-NVXWUHKLSA-N

INCHI

1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1

Isomere SMILES

CNC1=CC(=NC2=C(C=NN12)C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)C5=CC=CC=N5

PubChem CID

137441492

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Pyrazolo[1,5-a]pyrimidines Pyrazole-4-carboxamides Secondary alkylarylamines Methylpyridines Dihydropyridines N-acyl amines Imidolactams Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Hydrazones Dialkylamines Dialkyl ethers Carboximidamides Azacyclic compounds Amidines Aldimines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrazole-4-carboxamide - Methylpyridine - Secondary aliphatic/aromatic amine - Dihydropyridine - Imidolactam - Pyrimidine - Pyridine - N-acyl-amine - 1,2-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrazole - Azole - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Hydrazone - Ether - Secondary aliphatic amine - Dialkyl ether - Amidine - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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)

TYK2 Tclin Non-receptor tyrosine-protein kinase TYK2 (0 Activities)

Discover Target: TYK2

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 460.500 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 460.197 Da
• Monoisotopic Mass: 460.197 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 835.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is Z614948. InChIKey BWINBHTTZLVXGT-NVXWUHKLSA-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.