HS-1371 - ≥98% , CAS No.2158197-70-5

CAS: 2158197-70-5 Cat. No.: H414172 Peso molecular: 384.47

GRADE & PURITY ≥98%

Synonyms

Quinoline,4-​(4-​methylphenoxy)​-​7-​[1-​(4-​piperidinyl)​-​1H-​pyrazol-​4-​yl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

HS-1371 HS-1371 is a potent RIP3 kinase inhibitor with an IC50 of 20.8 nM. It binds to the ATP binding pocket of RIP3 and inhibits ATP binding to prevent RIP3 enzymatic activity in vitro.

Targets

RIP3 kinase 20.8 nM

In vitro

HS-1371 shows an inhibitory effect on S227 auto-phosphorylation of RIP3 at the basal level. It displays a complete inhibitory effect on TNF-induced necroptosis signaling, showing no phosphorylation of RIP3 and MLKL in HT-29 cells. Inhibition of RIP3 kinase activity by HS-1371 blocks necrosome complex formation, showing disruption of MLKL recruitment. HS-1371 rescues cells from TNF-induced necroptosis. It rescues cells from RIP3-dependent necroptotic cell death but not apoptotic cell death.

Cell Research(from reference)

Cell lines：HT-29 cells 

Concentrations：5 μM 

Incubation Time：2 h 

Specifications

Sinónimos

Quinoline, 4-​(4-​methylphenoxy)​-​7-​[1-​(4-​piperidinyl)​-​1H-​pyrazol-​4-​yl]​-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

HS-1371 is a potent RIP3 kinase inhibitor with an IC50 of 20.8 nM. It binds to the ATP binding pocket of RIP3 and inhibits ATP binding to prevent RIP3 enzymatic activity in vitro.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Propiedades del producto

• ALogP: 3.805
• hba_count: 3
• Recuento HBD: 1
• Enlace rotable: 4

Nombres e identificadores

• Pubchem Sid: 504773188
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773188
• Sonrisas canónicas: CC1=CC=C(C=C1)OC2=C3C=CC(=CC3=NC=C2)C4=CN(N=C4)C5CCNCC5
• IUPAC Name: 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline
• InChIKey: VPVLPCIBKVWFDT-UHFFFAOYSA-N
• INCHI: 1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)OC2=C3C=CC(=CC3=NC=C2)C4=CN(N=C4)C5CCNCC5
• Peso molecular: 384.47
• Reaxy-Rn: 32003386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32003386&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Quinolines and derivatives Phenoxy compounds Phenol ethers Toluenes Pyridines and derivatives Piperidines Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Quinoline - Phenoxy compound - Phenol ether - Toluene - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Objetivos asociados (humanos)

ALK Tclin ALK tyrosine kinase receptor (2 Activities)

Discover Target: ALK

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

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

KIT Tclin Stem cell growth factor receptor (10667 Activities)

Discover Target: KIT

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

TEK Tclin Tyrosine-protein kinase TIE-2 (3348 Activities)

Discover Target: TEK

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

RET Tclin Tyrosine-protein kinase receptor RET (6732 Activities)

Discover Target: RET

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

ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

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

ACVR1B Tchem Activin receptor type-1B (1131 Activities)

Discover Target: ACVR1B

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

LTK Tclin Leukocyte tyrosine kinase receptor (1542 Activities)

Discover Target: LTK

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 13 mg/mL (33.81 mM); Ethanol: 4 mg/mL (10.4 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 13
• DMSO (mM) Solubilidad máxima: 33.8127812313054
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 384.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 384.195 Da
• Monoisotopic Mass: 384.195 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 517.000
• 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