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

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Especificações

Sinónimos

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Rocaglamide is a potent inhibitor of NF-κB activation in T-cells. Rocaglamide is a potent and selective heat shock factor 1 (HSF1) activation inhibitor with an IC50 of ~50 nM. Rocaglamide inhibits the function of the translation initiation factor eIF4A. R

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.

Grau

Moligand™

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

≥98%

Nomes e identificadores

Sorrisos canónicos

CN(C)C(=O)C1C(C2(C(C1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5

IUPAC Name

(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide

InChIKey

DAPAQENNNINUPW-IDAMAFBJSA-N

INCHI

1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1

SMILES isoméricas

CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5

PubChem CID

331783

Peso molecular

505.57

Documentação

📋 Ficha de dados de segurança (FDS)

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

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

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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 Benzofurans
    - Subclass Flavaglines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Benzofurans
Subclass	Flavaglines
Intermediate Tree Nodes	Not available
Direct Parent	Flavaglines
Alternative Parents	Stilbenes Coumarans Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives 1,2-diols Secondary alcohols Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavagline skeleton - Stilbene - Coumaran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - 1,2-diol - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as flavaglines. These are heterocyclic compounds with a structure characterized by a cyclopenta[b]benzofuran skeleton.
External Descriptors	monocarboxylic acid amide - organic heterotricyclic compound - monomethoxybenzene
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)

EIF4A1 Tchem Eukaryotic initiation factor 4A-I (5 Activities)

Discover Target: EIF4A1

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

RELA Tchem Transcription factor p65 (5 Activities)

Discover Target: RELA

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1 Activities)

Discover Target: NFKB1

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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

A498 (42825 Activities)

Solubilidade	Soluble in DMSO and ethanol
Peso molecular	505.600 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	505.21 Da
Monoisotopic Mass	505.21 Da
Topological Polar Surface Area	97.700 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	810.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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

Rocaglamide(Roc-A) - Moligand™, ≥98% , CAS No.84573-16-0

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