Phellopterin - ≥99% , CAS No.2543-94-4

CAS: 2543-94-4 Cat. No.: P649249 分子式: C₁₇H₁₆O₅ 分子量: 300.31 EC番号: 110-046-4

グレード＆純度 ≥99%

Synonyms

Q3742334 | NSC 152469 | NSC152469 | NSC-152469 | Methanesulfinic acid, 1,1,1-trifluoro-, sodium salt (1:1) | 4-Methoxy-9-prenyloxypsoralen | C17047 | HMS2203M11 | Phelloptorin | NCGC00247535-01 | 4-Methoxy-9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chro

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium.

Form:Solid

仕様

同義語

Q3742334 | NSC 152469 | NSC152469 | NSC-152469 | Methanesulfinic acid, 1,1,1-trifluoro-, sodium salt (1:1) | 4-Methoxy-9-prenyloxypsoralen | C17047 | HMS2203M11 | Phelloptorin | NCGC00247535-01 | 4-Methoxy-9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chro

仕様と純度

≥99%

生化学的・生理学的メカニズム

Phellopterin is a natural product isolated from Angelica dahurica . Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium.

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

パブケム・シド

528773295

カノニカル・スマイル

COc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12

IUPAC Name

4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

InChIKey

BMLZFLQMBMYVHG-UHFFFAOYSA-N

INCHI

1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3

異性体SMILES

CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C

代替CAS番号

2543-94-4

NSC番号

152469

MeSH用語

phellopterin

分子量

300.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Coumarins and derivatives
      • Subclass Furanocoumarins
        • Level5 Linear furanocoumarins
          • Level6 Psoralens
            • Level7 5-methoxypsoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Linear furanocoumarins - Psoralens
• Direct Parent: 5-methoxypsoralens
• Alternative Parents: 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.
• External Descriptors: psoralens

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

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CYP1B1 Tchem Cytochrome P450 1B1 (1 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HepG2 (196354 Activities)

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G6PD Tchem Glucose-6-phosphate 1-dehydrogenase (778 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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PA Polymerase acidic protein (806 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (332.99 mM; Need ultrasonic)
• 感度: Light sensitive
• 分子量: 300.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 300.1 Da
• Monoisotopic Mass: 300.1 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 479.000
• 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