PDM-11 - ≥98% , CAS No.1032508-03-4

CAS: 1032508-03-4 Cat. No.: P412209 분자식: C₁₆H₁₅ClO₂ 분자량: 274.74 PubChem CID: 49799318

GRADE & PURITY ≥98%

Synonyms

PDM 11 | (E)-5-[2-(4-chlorophenyl)ethenyl]-1,3-dimethoxyphenyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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

동의어

PDM 11 | (E)-5-[2-(4-chlorophenyl)ethenyl]-1,3-dimethoxyphenyl

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

• ALogP: 4.447
• 회전 가능한 결합: 4

이름과 식별자

• Pubchem Sid: 504770932
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770932
• 정식 스마일: 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+
• 이성체 SMILES: COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)Cl)OC
• PubChem CID: 49799318
• 분자량: 274.74

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 55 mg/mL (200.18 mM); Ethanol: 20 mg/mL (72.79 mM); Water: Insoluble
• DMSO(mg/mL) 최대 용해도: 55
• DMSO(mM) 최대 용해도: 200.189269855136
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% 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 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.