Echinatin - 10mM in DMSO , CAS No.34221-41-5

CAS: 34221-41-5 Cat. No.: E423493 Fórmula: C₁₆H₁₄O₄ Peso molecular: 270.28

GRAU & PUREZA 10mM in DMSO

Synonyms

(E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone | HY-N0269 | A875066 | DTXSID301019928 | (E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | s9437

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Echinatin disturb the mitochondrial energy transfer reactions and membrane permeability, at a low concentration cause deterioration of respiratory control and oxidative phosphorylation of isolated rat liver mitochondria, inhibits DNP-ATPase activity while stimulating range latent ATPase activity. Echinatin has significant antioxidant activities, it shows strong scavenging activity toward the ABTS + radical, it also dose-dependently inhibits LPS induced reactive oxygen species (ROS) production in RAW 264.7 cells and inhibits the production of nitric oxide (NO), interleukin-6 (IL-6) and prostaglandin E2 (PGE2) in LPS-induced macrophage cells.

Especificações

Sinónimos

(E)-3-(4-Hydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone | HY-N0269 | A875066 | DTXSID301019928 | (E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | s9437

Especificações e pureza

10mM in DMSO

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.

Tipo de ação

INHIBITOR

Propriedades do produto

ALogP

3.201

hba_count

2

Contagem HBD

2

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

528764376

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764376

Sorrisos canónicos

COC1=C(C=CC(=C1)O)C=CC(=O)C2=CC=C(C=C2)O

IUPAC Name

(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

InChIKey

QJKMIJNRNRLQSS-WEVVVXLNSA-N

INCHI

1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+

SMILES isoméricas

COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O

Peso molecular

270.28

Reaxy-Rn

2135981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2135981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Cinnamylphenols Hydroxycinnamic acids and derivatives Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Styrene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• External Descriptors: Chalcones and dihydrochalcones

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)

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

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TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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

TYR Tclin Tyrosinase (717 Activities)

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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CTSB Tchem Cathepsin B (3822 Activities)

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MCF7 (126967 Activities)

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SNU-638 (372 Activities)

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SW480 (6023 Activities)

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A549 (127892 Activities)

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T47D (39041 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Alvos associados (não humanos)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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

CTSL Cathepsin L (58 Activities)

Discover Target: CTSL

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Leishmania donovani (89745 Activities)

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Leishmania major (2877 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Influenza A virus (11224 Activities)

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RAW264.7 (28094 Activities)

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nanH Sialidase (337 Activities)

Discover Target: nanH

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Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 54
• DMSO (mM) Solubilidade máxima: 199.792837027207
• Peso molecular: 270.280 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 344.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1