메틸 카페인산염 - ≥98%(T) , CAS No.3843-74-1

CAS: 3843-74-1 Cat. No.: M158462 분자식: C₁₀H₁₀O₄ 분자량: 194.19 EC 번호: 808-143-8

GRADE & PURITY ≥98%(T)

Synonyms

AC9787 | E-Caffeic acid methyl ester | BDBM50029209 | Caffeic acid, methyl ester | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)- | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Meth

Storage

Room temperature

Shipped In

보통

Specifications

동의어

AC9787 | E-Caffeic acid methyl ester | BDBM50029209 | Caffeic acid, methyl ester | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)- | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Meth

사양 및 순도

≥98%(T)

생화학 및 생리적 메커니즘

자연적으로 발생하는 카페인산 에스테르. 생체 내 항고혈당 및 항당뇨 효과. 시험관 내 종양 보호 효과.

보관 조건

Room temperature

배송

보통

작업 유형

INHIBITOR

참고

가능하면 당일에 용액을 준비하여 사용하는 것이 좋습니다. 그러나 미리 원액을 만들어야 하는 경우에는 -20°C에서 단단히 밀봉된 바이알에 소량씩 보관하는 것이 좋습니다. 일반적으로 최대 한 달 동안 사용할 수 있습니다. 사용하기 전에 바이알을 열기 전에 제품을 실온에서 최소 1시간 동안 평형을 이루도록 하는 것이 좋습니다. 용해도, 사용법 및 취급에 대한 추가 정보가 필요하신가요? 자주 묻는 질문(FAQ) 페이지에서 자세한 내용을 확인하세요.

순수함

≥98%(T)

이름과 식별자

Pubchem Sid

488191143

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191143

정식 스마일

COC(=O)C=CC1=CC(=C(C=C1)O)O

IUPAC Name

methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

InChIKey

OCNYGKNIVPVPPX-HWKANZROSA-N

INCHI

1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+

이성체 SMILES

COC(=O)/C=C/C1=CC(=C(C=C1)O)O

대체 CAS

67667-67-8

분자량

194.19

Reaxy-Rn

2100051

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid esters Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Coumaric acid or derivatives - Cinnamic acid ester - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• External Descriptors: alkyl caffeate ester

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)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

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BeWo (124 Activities)

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Calu-1 (518 Activities)

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HL-60 (67320 Activities)

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HT-1080 (3966 Activities)

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LoVo (4724 Activities)

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M14 (47487 Activities)

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SiHa (2051 Activities)

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A549 (127892 Activities)

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A-431 (6446 Activities)

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NCI-H1299 (3248 Activities)

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NCI-H157 (619 Activities)

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NCI-H292 (733 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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NCI-H460 (60772 Activities)

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KB (17409 Activities)

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LNCaP (8286 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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HeLa (62764 Activities)

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NCI-H1792 (313 Activities)

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관련 대상(비인간)

Ttr Transthyretin (14 Activities)

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Cryz Quinone oxidoreductase (288 Activities)

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pol Human immunodeficiency virus type 1 integrase (9041 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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3T3-L1 (3664 Activities)

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B16 (5829 Activities)

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RAW264.7 (28094 Activities)

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HT-22 (3261 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 160℃
• 분자량: 194.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3843-74-1, the molecular formula is C10H10O4, and the molecular weight is 194.19 g/mol. InChIKey OCNYGKNIVPVPPX-HWKANZROSA-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.