Solcitinib - Moligand™, 10mM in DMSO , Tyrosine-protein kinase JAK1 inhibitor, CAS No.1206163-45-2, Tyrosine-protein kinase JAK1 inhibitor

CAS: 1206163-45-2 Cat. No.: S420903 Fórmula: C₂₂H₂₃N₅O₂ Peso molecular: 389.45 PubChem CID: 44603362

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Solcitinib|1206163-45-2|GLPG-0778|GLPG0778|GSK-2586184|GSK2586184A|GSK2586184|N-(5-(4-(3,3-Dimethylazetidine-1-carbonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide|SolcitinibGLPG0778|GLPG 0778|GSK-2586184A|N-[5-[4-(3,3-dimethylazeti

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

Solcitinib (GLPG0778, GSK2586184) is an inhibitor ofJAK1with an IC50 of 8-9 nM, and shows 11-, 55- and 23-fold selectivity over JAK2, JAK3 and TYK2, respectively.

Targets

JAK2 ; JAK3 ; TYK2 ; JAK1 ; 8-9 nM

Specifications

Sinónimos

Solcitinib | 1206163-45-2 | GLPG-0778 | GLPG0778 | GSK-2586184 | GSK2586184A | GSK2586184 | N-(5-(4-(3,3-Dimethylazetidine-1-carbonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide | SolcitinibGLPG0778 | GLPG 0778 | GSK-2586184A | N-[5-[4-(3,3-dimethylazeti

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Solcitinib (GLPG0778, GSK2586184) is an inhibitor of JAK1 with an IC50 of 8-9 nM, and shows 11-, 55- and 23-fold selectivity over JAK2, JAK3 and TYK2, respectively.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Tyrosine-protein kinase JAK1 inhibitor

Propriedades do produto

• ALogP: 3.118
• Contagem HBD: 1
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 528774519
• Sorrisos canónicos: CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C
• IUPAC Name: N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• InChIKey: MPYACSQFXVMWNO-UHFFFAOYSA-N
• INCHI: 1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
• SMILES isoméricas: CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C
• PubChem CID: 44603362
• Peso molecular: 389.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Triazolopyridines Benzamides Benzoyl derivatives N-arylamides Cyclopropanecarboxylic acids and derivatives Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azetidines Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Benzamide - Benzoic acid or derivatives - Triazolopyridine - Benzoyl - N-arylamide - Benzenoid - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

TYK2 Tclin Non-receptor tyrosine-protein kinase TYK2 (1 Activities)

Discover Target: TYK2

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

JAK3 Tclin Tyrosine-protein kinase JAK3 (1 Activities)

Discover Target: JAK3

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

JAK1 Tclin Tyrosine-protein kinase JAK1 (2 Activities)

Discover Target: JAK1

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (1 Activities)

Discover Target: JAK2

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

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)

Discover Target: JAK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYK2 Tclin Tyrosine-protein kinase TYK2 (5029 Activities)

Discover Target: TYK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 30
• DMSO (mM) Solubilidade máxima: 77.0317113878547
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 389.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 389.185 Da
• Monoisotopic Mass: 389.185 Da
• Topological Polar Surface Area: 79.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 648.000
• 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