E7449 - ≥97% , Tankyrase 1/2 inhibitor, CAS No.1140964-99-3, Tankyrase 1/2 inhibitor

CAS: 1140964-99-3 Cat. No.: E414006 Fórmula: C18H15N5O Peso molecular: 317.34
Disponível para encomenda
GRAU & PUREZA ≥97%
Synonyms
HY-12418 | Parp inhibitor 2x-121 | A909458 | STENOPARIB [WHO-DD] | AC-36842 | BCP19934 | NSC783107 | NSC-783107 | NSC 6131 | 9X5A2QIA7C | 2X-121 | EX-A1282 | E7449 | E-7449 | 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]tridec
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Tamanho
Alemanha (EU)
USA*
Preço
Qtd
1mg
E414006-1mg
Sob encomenda · 8–12 semanas
51,98€
5mg
E414006-5mg
—
3 Em stock
183,87€
10mg
E414006-10mg
—
2 Em stock
294,94€
25mg
E414006-25mg
—
1 Em stock
572,62€
50mg
E414006-50mg
—
1 Em stock
919,72€
100mg
E414006-100mg
—
1 Em stock
1475,07€
Enter a quantity for the sizes you want to add.
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Por que este grau

≥97% 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 -20°C Envio Ice chest + Ice pads. 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

Information

E7449 is an orally bioavailable, brain penetrable, small molecule dual inhibitor ofPARP1/2and also inhibits PARP5a/5b, otherwise known as tankyrase1 and 2 (TNKS1/2), important regulators of canonical Wnt/β-catenin signaling. It has IC50 values of 1.0 and 1.2 nM for PARP1 and 2, respectively.


Targets

PARP1 ; PARP2 1 nM; 1.2 nM


In vitro

E7449 inhibits PARP enzymatic activity and additionally traps PARP1 onto damaged DNA; a mechanism previously shown to augment cytotoxicity. E7449 inhibits Wnt/β-catenin signaling in colon cancer cell lines, likely through TNKS inhibition. E7449 stabilizes axin and TNKS proteins resulting in β-catenin de-stabilization and significantly alters expression of Wnt target genes. E7449 inhibits TNKS1 and 2 (PARP5a and 5b) with IC50 values of 50-100 nmol/L. Significant inhibitory activity is not observed for PARP3 or PARPs 6-16 (PARP9 and 13 lack activity and PARP4 had minimal signal).


In vivo

Chemotherapy is potentiated by E7449 and single agent has significant antitumor activity in BRCA-deficient xenografts. E7449 lacks single agent antitumor activity in vivo. E7449 antitumor activity is increased through combination with MEK inhibition. Treatment with E7449 at 30 or 100 mg/kg in xenografts is well-tolerated without any significant body weight loss or deaths. Treatment with E7449 at 100 mg/kg resulted in significant PARP inhibition that is sustained for at least 12 hours and recovered to basal levels within 24 h.


Cell Research(from reference)

Cell lines:Human breast cancer cell lines, HCC1143, HCC70, HCC1806, MDA-MB-436, T47D, MDA-MB-157, MDA-MB-231, MDA-MB-468, MDA-MB-453, BT-20 and Hs578T 

Incubation Time:8 days 

Especificações

Sinónimos
HY-12418 | Parp inhibitor 2x-121 | A909458 | STENOPARIB [WHO-DD] | AC-36842 | BCP19934 | NSC783107 | NSC-783107 | NSC 6131 | 9X5A2QIA7C | 2X-121 | EX-A1282 | E7449 | E-7449 | 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]tridec
Especificações e pureza
≥97%
Mecanismos bioquímicos e fisiológicos
E7449 is an orally bioavailable, brain penetrable, small molecule dual inhibitor of PARP1/2 and also inhibits PARP5a/5b, otherwise known as tankyrase1 and 2 (TNKS1/2), important regulators of canonical Wnt/β-catenin signaling. It has IC50 values of 1.0 an
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.
Tipo de ação
INHIBITOR
Mecanismo de ação
Tankyrase 1/2 inhibitor
Pureza
≥97%
Propriedades do produto
ALogP
1.1
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488202973
Sorrisos canónicos
C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3
IUPAC Name
11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one
InChIKey
JLFSBHQQXIAQEC-UHFFFAOYSA-N
INCHI
1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)
SMILES isoméricas
C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3
Peso molecular
317.34
Reaxy-Rn
37343431
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37343431&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
SuperclassOrganoheterocyclic compounds
ClasseDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Phthalazines
Direct ParentPhthalazinones
Alternative Parents Quinazolines  Isoindolines  Isoindoles  Pyridazinones  Aralkylamines  Pyrimidines and pyrimidine derivatives  Benzenoids  Heteroaromatic compounds  Trialkylamines  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phthalazinone - Quinazoline - Isoindoline - Isoindole - Isoindole or derivatives - Pyridazinone - Aralkylamine - Pyridazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Lactam - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
TNKS Tchem Tankyrase-1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TNKS2 Tchem Tankyrase-2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNKS Tchem Tankyrase-1 (1241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNKS2 Tchem Tankyrase-2 (1531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNKS2 Tchem Tankyrase 1/2 (384 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Parp2 Poly [ADP-ribose] polymerase-2 (47 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDataItem
D23061535D23061535Certificate of AnalysisFeb 11, 2023 E414006
D23061537D23061537Certificate of AnalysisFeb 11, 2023 E414006
D23061538D23061538Certificate of AnalysisFeb 11, 2023 E414006
D23061539D23061539Certificate of AnalysisFeb 11, 2023 E414006
D23061540D23061540Certificate of AnalysisFeb 11, 2023 E414006
D23061541D23061541Certificate of AnalysisFeb 11, 2023 E414006
D23061542D23061542Certificate of AnalysisFeb 11, 2023 E414006
D23061543D23061543Certificate of AnalysisFeb 11, 2023 E414006
D23061544D23061544Certificate of AnalysisFeb 11, 2023 E414006
D23061554D23061554Certificate of AnalysisFeb 11, 2023 E414006
Propriedades químicas e físicas
SolubilidadeSolubility (25°C) In vitro DMSO: 5 mg/mL warmed with 50ºC Water: bath (15.75 mM); Water: Insoluble; Ethanol: Insoluble;
Peso molecular317.300 g/mol
XLogP31.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass317.128 Da
Monoisotopic Mass317.128 Da
Topological Polar Surface Area69.100 Ų
Heavy Atom Count24
Formal Charge0
Complexity586.000
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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