NPS-1034 - 10mM in DMSO , CAS No.1221713-92-3

CAS: 1221713-92-3 Cat. No.: N420953 Fórmula: C31H23F2N5O3 Peso molecular: 551.54
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
N-(3-fluoro-4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Alemanha (EU)
USA*
Price
Qty
1ml
N420953-1ml
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2 Em stock

169,12€

248,09€
Gravar 78,96 € (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

Information

NPS-1034 NPS-1034 is a dual Met (c-Met)/Axl inhibitor with IC50 of 48 nM and 10.3 nM, respectively.

Targets

Axl (Cell-free assay); Met (Cell-free assay) 10.3 nM; 48 nM

In vitro

In HCC827/GR cells, NPS-1034 does not show significant antiproliferative effects, while overcomes gefitinib resistance by inhibiting the phosphorylation of MET, Akt, and Erk. In H820 cells, NPS-1034 enhances sensitivity to EGFR-TKIs. In HCC78 cells, NPS-1034 inhibits ROS1 activity and cell proliferation. In addition, a combination of gefitinib and NPS-1034 enhances cell death by inducing caspase-3 and PARP-1 cleavage. NPS-1034 inhibits the viability of the MKN45 and SNU638 cell lines, which highly express the MET gene and p-MET, with IC50 of 112.7 and 190.3 nmol, respectively.

In vivo

In SCID mice bearing HCC827/GR tumor xenografts, NPS-1034 (10 mg/kg, p.o.) decreases tumor growth, and the combination of gefitinib and NPS-1034 results in enhanced tumor growth inhibition via the inhibition of tumor proliferation and the induction of apoptosis. In nude mice bearing MKN45 xenograft tumors, NPS-1034 (30 mg/kg, p.o.) decreases tumor growth through the inhibition of angiogenesis and the promotion of apoptosis.

Cell Research(from reference)

Cell lines:HCC827/GR, HCC-78 and H820 cells 

Concentrations:~5 μM 

Incubation Time:72 h 

Specifications

Sinónimos
N-(3-fluoro-4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenyl)-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
NPS-1034 is a dual Met (c-Met)/Axl inhibitor with IC50 of 48 nM and 10.3 nM, 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.
Propriedades do produto
ALogP
4.795
hba_count
4
Contagem HBD
2
Ligação rotativa
6
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CC=CC=C6)F
IUPAC Name
1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
InChIKey
RGAZVGZUBCFHRJ-UHFFFAOYSA-N
INCHI
1S/C31H23F2N5O3/c1-18-27(31(40)38(37(18)2)22-11-8-20(32)9-12-22)30(39)36-21-10-13-25(24(33)16-21)41-26-14-15-34-29-28(26)23(17-35-29)19-6-4-3-5-7-19/h3-17H,1-2H3,(H,34,35)(H,36,39)
SMILES isoméricas
CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CC=CC=C6)F
Peso molecular
551.54
Reaxy-Rn
21611629
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21611629&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAromatic anilides
Alternative Parents Diarylethers  Phenylpyrroles  Phenylpyrazoles  Pyrrolopyridines  Phenol ethers  Phenoxy compounds  Pyrazole-4-carboxamides  Fluorobenzenes  Aryl fluorides  Pyridines and derivatives  Pyrazolones  Heteroaromatic compounds  Vinylogous amides  Lactams  Secondary carboxylic acid amides  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Organonitrogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aromatic anilide - Diaryl ether - Phenylpyrazole - 3-phenylpyrrole - Pyrrolopyridine - Phenoxy compound - Pyrazole-4-carboxamide - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - Pyrazolinone - Pyridine - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Pyrrole - Lactam - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
TYRO3 Tchem Tyrosine-protein kinase receptor TYRO3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MERTK Tchem Tyrosine-protein kinase Mer (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AXL Tchem Tyrosine-protein kinase receptor UFO (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MET Tclin Hepatocyte growth factor receptor (10718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AXL Tchem Tyrosine-protein kinase receptor UFO (3469 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYRO3 Tchem Tyrosine-protein kinase receptor TYRO3 (2906 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mg/mL) Solubilidade máxima100
DMSO (mM) Solubilidade máxima181.3105124
Água (mg/mL) Solubilidade máxima<1
Peso molecular551.500 g/mol
XLogP35.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass551.177 Da
Monoisotopic Mass551.177 Da
Topological Polar Surface Area90.600 Ų
Heavy Atom Count41
Formal Charge0
Complexity998.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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