Silvestrol - ≥99% , CAS No.697235-38-4

CAS: 697235-38-4 Cat. No.: S126127 Fórmula: C₃₄H₃₈O₁₃ Peso molecular: 654.66

GRADE & PURITY ≥99%

Synonyms

1H-Cyclopenta(b)benzofuran-2-carboxylic acid, 6-(((2S,3R,6R)-6-((1R)-1,2-dihydroxyethyl)-3-methoxy-1,4-dioxan-2-yl)oxy)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)- | Silvestrol [WHO-DD] |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1H-Cyclopenta(b)benzofuran-2-carboxylic acid, 6-(((2S,3R,6R)-6-((1R)-1,2-dihydroxyethyl)-3-methoxy-1,4-dioxan-2-yl)oxy)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1R,2R,3S,3aR,8bS)- | Silvestrol [WHO-DD] |

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Silvestrol((-)-Silvestrol) is the novel cyclopenta[b]benzofuran, silvestrol, isolated from the fruits and twigs of Aglaia foveolata. Silvestrol((-)-Silvestrol) has been found to exhibit very potent in vitro cytotoxic activity against seve

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.

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

COC1C(OC(CO1)C(CO)O)OC2=CC3=C(C(=C2)OC)C4(C(C(C(C4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O

IUPAC Name

methyl (1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

InChIKey

GVKXFVCXBFGBCD-QKDMMWSPSA-N

INCHI

1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/m1/s1

SMILES isoméricas

CO[C@H]1[C@@H](O[C@H](CO1)[C@@H](CO)O)OC2=CC3=C(C(=C2)OC)[C@@]4([C@@H]([C@@H]([C@H]([C@@]4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O

Peso molecular

654.66

Reaxy-Rn

39176407

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39176407&ln=

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 Beta hydroxy acids and derivatives 1,4-dioxanes Methyl esters Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavagline skeleton - Stilbene - Coumaran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Para-dioxane - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Methyl ester - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Ether - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary alcohol - 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: organic heterotricyclic compound - carboxylic ester - ether - dioxanes

Data sources

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

Alvos associados (humanos)

EIF4A1 Tchem Eukaryotic initiation factor 4A-I (2 Activities)

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Caco-2 (12174 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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NB-4 (999 Activities)

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U-937 (7138 Activities)

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BJAB (157 Activities)

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Leukemia cell (223 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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Kasumi 1 (420 Activities)

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LNCaP (8286 Activities)

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MDA-MB-435 (38290 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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RELA Tchem Nuclear factor NF-kappa-B p65 subunit (627 Activities)

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MV4-11 (7307 Activities)

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Lu1 (576 Activities)

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Liver microsomes (16955 Activities)

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Liver (3974 Activities)

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EIF4A1 Tchem Eukaryotic initiation factor 4A-I (286 Activities)

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OCI-AML2 (350 Activities)

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OCI-AML-3 (139 Activities)

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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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Poliovirus 1 (1274 Activities)

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P388 (20296 Activities)

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Human coronavirus 229E (235 Activities)

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Plasma (328 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO
• Peso molecular: 654.700 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 654.231 Da
• Monoisotopic Mass: 654.231 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1050.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 697235-38-4, the molecular formula is C34H38O13, and the molecular weight is 654.66 g/mol. InChIKey GVKXFVCXBFGBCD-QKDMMWSPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.