Marmesin - ≥98% , CAS No.13849-08-6

CAS: 13849-08-6 Cat. No.: M412884 Summenformel: C₁₄H₁₄O₄ Molekulargewicht: 246.26 EG-Nummer: 111-892-7

GRADE & PURITY ≥98%

Synonyms

KBio2_007132 | Spectrum_001516 | UNII-H5D33D6K5D | Marmesin ((+)-Marmesin) | Marmesin | (+)-Marmesin | 7H-Furo[3, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)- | DTXSID001030448 | NSC 340840 | Spectrum5_000402 | (2S)-2-(2-HYDROXYPROPAN-2-YL)-2H,3H,7H-FUR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Marmesin (S-(+)-Marmesin, (+)-Marmesin, (S)-Marmesin) is a natural coumarin withCOX-2and5-LOXdual inhibitory activity.

Targets

COX-2 ; 5-LOX

Specifications

Synonyme

KBio2_007132 | Spectrum_001516 | UNII-H5D33D6K5D | Marmesin ((+)-Marmesin) | Marmesin | (+)-Marmesin | 7H-Furo[3, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)- | DTXSID001030448 | NSC 340840 | Spectrum5_000402 | (2S)-2-(2-HYDROXYPROPAN-2-YL)-2H,3H,7H-FUR

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Marmesin (S-(+)-Marmesin, (+)-Marmesin, (S)-Marmesin) is a natural coumarin with COX-2 and 5-LOX dual inhibitory activity.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504758505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758505
• Kanonisches Lächeln: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
• IUPAC Name: (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
• InChIKey: FWYSBEAFFPBAQU-LBPRGKRZSA-N
• INCHI: 1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
• Isomere SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
• Molekulargewicht: 246.26
• Reaxy-Rn: 85846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=85846&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives
      • Subclass Furanocoumarins
        • Ebene5 Linear furanocoumarins
          • Ebene6 Psoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Linear furanocoumarins
• Direct Parent: Psoralens
• Alternative Parents: 1-benzopyrans Coumarans Pyranones and derivatives Alkyl aryl ethers Benzenoids Tertiary alcohols Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Psoralen - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
• External Descriptors: Furanocoumarins

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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CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

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1A9 (618 Activities)

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CAKI-1 (44928 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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SK-MEL-2 (46422 Activities)

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A549 (127892 Activities)

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

Discover Target: SLCO1B1

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Zugehörige Ziele (nicht menschlich)

Staphylococcus aureus (210822 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 100 mg/mL (406.07 mM)
• Molekulargewicht: 246.260 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 246.089 Da
• Monoisotopic Mass: 246.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

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 13849-08-6, the molecular formula is C14H14O4, and the molecular weight is 246.26 g/mol. InChIKey FWYSBEAFFPBAQU-LBPRGKRZSA-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.