RIPK1-IN-4 - Moligand™,≥98% , CAS No.1481641-08-0

CAS: 1481641-08-0 Cat. No.: R648090 Fórmula: C₂₃H₂₃N₅O₂ Peso molecular: 401.46 PubChem CID: 71816195

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

RIPK1-IN-4 (compound 8) is a potent and selective type II kinase inhibitor of receptor interacting protein 1 (RIP1) kinase and binds to a DLG-out inactive form of RIP1 with an IC 50 s of 16 nM and 10 nM for RIP1 and ADP-Glo kinase

Form:Solid

IC50& Target:IC50: 16 nM (RIP1) and 10 nM (ADP-Glo)

Specifications

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

RIPK1-IN-4 (compound 8) is a potent and selective type II kinase inhibitor of receptor interacting protein 1 (RIP1) kinase and binds to a DLG-out inactive form of RIP1 with an IC 50 s of 16 nM and 10 nM for RIP1 and ADP-Glo kinase.

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

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4N

IUPAC Name

1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

InChIKey

SLRYMOUSQMDJPH-UHFFFAOYSA-N

INCHI

1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)

SMILES isoméricas

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4N

PubChem CID

71816195

Peso molecular

401.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: N-phenylureas Aminopyridines and derivatives Imidolactams Isoxazoles Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - N-phenylurea - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Isoxazole - Urea - Oxacycle - Azacycle - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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)

RIPK1 Tchem Receptor-interacting serine/threonine-protein kinase 1 (3 Activities)

Discover Target: RIPK1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 250 mg/mL (622.73 mM; Need ultrasonic)
• Peso molecular: 401.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 401.185 Da
• Monoisotopic Mass: 401.185 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 587.000
• 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