PDM-11 - 10mM in DMSO , CAS No.1032508-03-4

CAS: 1032508-03-4 Cat. No.: P420409 Formula: C₁₆H₁₅ClO₂ Peso molecolare: 274.74 PubChem CID: 49799318

GRADE & PURITY 10mM in DMSO

Synonyms

Benzene,1-​[(1E)​-​2-​(4-​chlorophenyl)​ethenyl]​-​3,​5-​dimethoxy-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

PDM-11 PDM-11 is a derivative of resveratrol that exhibits stronger antagonist affinity for arylhydrocarbon receptors (AhR) than resveratrol, without any affinity for the estrogen receptor.

Targets

AhR

Specifications

Sinonimi

Benzene,1-​[(1E)​-​2-​(4-​chlorophenyl)​ethenyl]​-​3,​5-​dimethoxy-

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

PDM-11 is a derivative of resveratrol that exhibits stronger antagonist affinity for arylhydrocarbon receptors (AhR) than resveratrol, without any affinity for the estrogen receptor.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Proprietà del prodotto

• ALogP: 4.447
• Legame rotabile: 4

Nomi e identificatori

• Sorrisi canonici: COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)Cl)OC
• IUPAC Name: 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxybenzene
• InChIKey: VPHHOTWBLKKBBT-ONEGZZNKSA-N
• INCHI: 1S/C16H15ClO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
• Isomeri SMILES: COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)Cl)OC
• PubChem CID: 49799318
• Peso molecolare: 274.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

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

Obiettivi associati (umani)

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

Caco-2 (12174 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 55
• DMSO (mM) Solubilità massima: 200.189269855136
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 274.740 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 274.076 Da
• Monoisotopic Mass: 274.076 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 272.000
• 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

Domande frequenti

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 1032508-03-4, the molecular formula is C16H15ClO2, and the molecular weight is 274.74 g/mol. InChIKey VPHHOTWBLKKBBT-ONEGZZNKSA-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.