3′,5′-Dimethoxy-4′-hydroxyacetophenone - ≥98% , CAS No.2478-38-8

CAS: 2478-38-8 Cat. No.: A111080 분자식: C₁₀H₁₂O₄ 분자량: 196.2 Beilstein Registry Number: 1966119 EC 번호: 219-610-5

등급 & 순도 ≥98%

Synonyms

4-Hydroxy-3,5-dimethoxyacetophennone | EN300-112111 | NCGC00095819-01 | SDCCGMLS-0066948.P001 | Acetosyringon | SPBio_000418 | 4-Hydroksy-3',5'-dwumetoksyacetofenon [Polish] | Acetophenone, 3,5-dimethoxy-4-hydroxy- | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

3',5'-Dimethoxy-4'-hydroxyacetophenone is used in the synthesis of tetramethoxychalcone and its analogues as anticancer agents in vitro. It is a naturally occuring compound found in plants and used in plant-pathogen recognition.
A buffer also known as acetosyringone that is used in the synthesis of tetramethoxychalcone and its analogues as anticancer agents in vitro.

사양

동의어

4-Hydroxy-3,5-dimethoxyacetophennone | EN300-112111 | NCGC00095819-01 | SDCCGMLS-0066948.P001 | Acetosyringon | SPBio_000418 | 4-Hydroksy-3',5'-dwumetoksyacetofenon [Polish] | Acetophenone, 3,5-dimethoxy-4-hydroxy- | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Naturally occurring phenolic compound found in plants and used in plant-pathogen recognition. Effective inducer of the virulence genes of Agrobacterium tumefaciens .

보관 조건

Room temperature,Argon charged

배송

Normal

참고

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.

순수함

≥98%

이름과 식별자

Pubchem Sid

488182364

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182364

정식 스마일

CC(=O)C1=CC(=C(C(=C1)OC)O)OC

IUPAC Name

1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

InChIKey

OJOBTAOGJIWAGB-UHFFFAOYSA-N

INCHI

1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3

이성체 SMILES

CC(=O)C1=CC(=C(C(=C1)OC)O)OC

WGK 독일

2

RTECS

AM8440000

분자량

196.2

Beilstein

1966119

Reaxy-Rn

1966119

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Methoxyphenols Dimethoxybenzenes Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Acetophenone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Ether - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: phenols - dimethoxybenzene - acetophenones

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)

HepG2 (196354 Activities)

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

관련 대상(비인간)

Agrobacterium tumefaciens (620 Activities)

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

L1210 (27553 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (Slightly), methanol, ethanol, acetone, and ether.
• 굴절률: 1.53
• 끓는점(°C): 335 °C
• 녹는점(°C): 124.0-127.0°C
• 분자량: 196.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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