Angelicin - Moligand™,10mM in DMSO , CAS No.523-50-2

CAS: 523-50-2 Cat. No.: A424489 Summenformel: C₁₁H₆O₃ Molekulargewicht: 186.16 EG-Nummer: 637-055-0

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

4-Hydroxy-5-benzofuranacrylic acid gamma-lactone | A829042 | 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone | Furo[5',8]coumarin | Angelicin, analytical standard | 2H-Furo(2,3-H)-1-benzopyran-2-one | Angelicin plus ultraviolet A radiation

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

An angular furocoumarin, may be used as a photoactivatable molecule that reacts with DNA and unsaturated fatty acids to form monoadducts. Angelicin may be studied as a potential phototherapeutic and to understand its mechanisms of action and effects on RNA and DNA synthesis.

Specifications

Synonyme

4-Hydroxy-5-benzofuranacrylic acid gamma-lactone | A829042 | 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone | Furo[5',8]coumarin | Angelicin, analytical standard | 2H-Furo(2,3-H)-1-benzopyran-2-one | Angelicin plus ultraviolet A radiation

Spezifikationen & Reinheit

Moligand™,10mM in DMSO

Biochemische und physiologische Mechanismen

Angular furocoumarin with diverse photobiological effects. Upon long-wavelength UV irradiation, forms monoadduct with double-stranded DNA and reacts with unsaturated fatty acids. Inhibits DNA and RNA synthesis and cell replication in Ehrlich ascites tumor

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Note

Moligand™

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528771835

Kanonisches Lächeln

C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

IUPAC Name

furo[2,3-h]chromen-2-one

InChIKey

XDROKJSWHURZGO-UHFFFAOYSA-N

INCHI

1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H

Isomere SMILES

C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

RTECS

LV0940000

Molekulargewicht

186.16

Reaxy-Rn

153970

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153970&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives
      • Subclass Furanocoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Angular furanocoumarins
• Alternative Parents: 1-benzopyrans Benzofurans Pyranones and derivatives Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
• External Descriptors: a small molecule

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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MAOA Tclin Amine oxidase [flavin-containing] A (2 Activities)

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

ALDH2 Tclin Aldehyde dehydrogenase (509 Activities)

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALDH3A1 Tchem Aldehyde dehydrogenase dimeric NADP-preferring (307 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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HL-60 (67320 Activities)

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HT-1080 (3966 Activities)

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K562 (73714 Activities)

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LoVo (4724 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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Jurkat (10389 Activities)

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SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

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Mus musculus (284745 Activities)

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Ehrlich (1318 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Siedepunkt (°C): 104 °C/4 mmHg
• Schmelzpunkt (°C): 140 °C
• Molekulargewicht: 186.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.032 Da
• Monoisotopic Mass: 186.032 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 284.000
• 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