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Comprovação documental

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

Especificações

Sinónimos

(2E,6E)-2,6-Bis(4-pyridinylmethylene)cyclohexanone

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Biological description': "Allosteric Akt inhibitor. Interferes with PIP3 binding to Akt's PH domain. Additionally facilitates Akt ubiquitination. Displays anticancer activity in vitro and in vivo.

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504763991

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763991

Sorrisos canónicos

C1CC(=CC2=CC=NC=C2)C(=O)C(=CC3=CC=NC=C3)C1

IUPAC Name

(2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexan-1-one

InChIKey

CYVVJSKZRBZHAV-UNZYHPAISA-N

INCHI

1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+

SMILES isoméricas

C1C/C(=C\C2=CC=NC=C2)/C(=O)/C(=C/C3=CC=NC=C3)/C1

PubChem CID

6018993

Peso molecular

276.34

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Pyridines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Pyridines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyridines and derivatives
Alternative Parents	Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine - Heteroaromatic compound - Cyclic ketone - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
External Descriptors	Not available
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

Estrutura 3D

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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

GSR Tclin Glutathione reductase (335 Activities)

Discover Target: GSR

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

HT-29 (80576 Activities)

Lot Number	Certificate Type	Data	Item
B2318942	Certificate of Analysis	Mar 18, 2026	S276006
B2318948	Certificate of Analysis	Mar 18, 2026	S276006
B2318977	Certificate of Analysis	Mar 18, 2026	S276006
B2318979	Certificate of Analysis	Mar 18, 2026	S276006

Solubilidade	Soluble in DMSO to 50 mM and in ethanol to 50 mM
Peso molecular	276.300 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	276.126 Da
Monoisotopic Mass	276.126 Da
Topological Polar Surface Area	42.900 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	388.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

SC-66 - ≥99% , CAS No.871361-88-5

Armazenamento e envio

Documentos de qualidade

Comprovação documental

Especificações

Documentação

📋 Ficha de dados de segurança (FDS)

✅ Certificado de análise (COA)

📊 Ficha técnica

🔬 Folha de especificações

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