CGI-1746 - Moligand™, 10mM in DMSO , Inhibitor of Bruton tyrosine kinase, CAS No.910232-84-7, Inhibitor of Bruton tyrosine kinase

CAS: 910232-84-7 Cat. No.: C426873 Fórmula: C34H37N5O4 Peso molecular: 579.71
Disponível para encomenda
GRAU & PUREZA Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
SW222244-1 | 4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide | BCP05160 | CCG-270125 | BDBM36516 | DTXSID70647724 | F15274 | DB08980 | EX-A614 | GCI1746 | 4-tert-Butyl-N-(2-methyl-3-{4-methyl-6-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Tamanho
Alemanha (EU)
USA*
Preço
Qtd
1ml
C426873-1ml
—
2 Em stock

143,09€

209,91€
Gravar 66,82 € (31.83%)
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Por que este grau

Moligand™, 10mM in DMSO Moligand™ para fluxos de trabalho cromatográficos e analíticos sensíveis que exigem interferência mínima da linha de base.

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Armazenamento e envio

Store at -80°C Envio Dry ice packs + Cold packs. Consulte o COA específico do lote para obter as especificações exatas.

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Documentos de qualidade

SDS, COA, ficha técnica e folha de especificações disponíveis para download. COA específico do lote acessível por meio de pesquisa por número de lote.

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Comprovação documental

Citado em 0 publicações revisadas por pares nas áreas de cromatografia, síntese orgânica e reações de acoplamento cruzado.

Visão geral

CGI-1746 is a small-molecule Bruton's tyrosine kinase (Btk) inhibitor.

Especificações

Sinónimos
SW222244-1 | 4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide | BCP05160 | CCG-270125 | BDBM36516 | DTXSID70647724 | F15274 | DB08980 | EX-A614 | GCI1746 | 4-tert-Butyl-N-(2-methyl-3-{4-methyl-6-
Especificações e pureza
Moligand™, 10mM in DMSO
Mecanismos bioquímicos e fisiológicos

CGI-1746 is a small-molecule Bruton's tyrosine kinase (Btk) inhibitor chemotype with a new binding mode that stabilizes an inactive nonphosphorylated enzyme conformation. CGI-1746 has exquisite selectivity for Btk and inhibits both au

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
Inhibitor of Bruton tyrosine kinase
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C
IUPAC Name
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
InChIKey
JIFCFQDXHMUPGP-UHFFFAOYSA-N
INCHI
1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
SMILES isoméricas
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C
Peso molecular
579.71
Reaxy-Rn
18528883
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18528883&ln=

Documentação

📋 Ficha de dados de segurança (FDS)

Documento abrangente sobre perigos, manuseamento, armazenamento e conformidade regulamentar.

<<<<<<< HEAD Baixar SDS → ======= Baixar SDS → >>>>>>> release248-p3

✅ Certificado de análise (COA)

Dados de qualidade específicos do lote. Introduza o número de lote para obter o COA exato.

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📊 Ficha técnica

Resumo de referência rápida das especificações e aplicações do produto.

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🔬 Folha de especificações

Atributos de qualidade completos e critérios de aceitação para este grau.

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Dados avançados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
Alternative Parents Phenylpropanes  Benzamides  Morpholine carboxylic acids and derivatives  Aniline and substituted anilines  Benzoyl derivatives  Toluenes  Aminopyrazines  Imidolactams  Heteroaromatic compounds  Tertiary carboxylic acid amides  Secondary carboxylic acid amides  Lactams  Dialkyl ethers  Oxacyclic compounds  Azacyclic compounds  Amines  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzanilide - Benzamide - Benzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Phenylpropane - Benzoyl - Aniline or substituted anilines - Aminopyrazine - Toluene - Morpholine - Imidolactam - Oxazinane - Pyrazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
BTK Tclin Tyrosine-protein kinase BTK (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dengue virus type 2 (2400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 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
Peso molecular579.700 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass579.285 Da
Monoisotopic Mass579.285 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count43
Formal Charge0
Complexity1070.000
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

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