7-Methoxycoumarin-3-carboxylic acid - ≥97%(HPCE) , CAS No.20300-59-8

CAS: 20300-59-8 Cat. No.: M131451 Molecular Weight: 220.18 EC Number: 634-967-0

GRADE & PURITY ≥97%(HPCE)

Synonyms

BDBM50442714 | FT-0621448 | EN300-7416483 | 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid | Cumarin-3-carboxylic acid, 7-methoxy- | HY-W039519 | SCHEMBL203997 | 7-methoxy-2-oxochromene-3-carboxylic acid | 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid # |

Storage

Room temperature

Shipped In

Normal

Overview

7-Methoxycoumarin-3-carboxylic acid provides a distinguishable contrast when used with longer-wavelength probes in certain multicolor fluorescence applications such as nucleic acid and protein microarrays, in situ hybridization and immunofluorescence.
7-Methoxycoumarin-3-carboxylic acid N-succinimidyl ester is used as a reagent to conjugate 7-Methoxycoumarin-3-carboxylic acid to other molecules via amide chemistry.

Specifications

Synonyms

BDBM50442714 | FT-0621448 | EN300-7416483 | 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid | Cumarin-3-carboxylic acid, 7-methoxy- | HY-W039519 | SCHEMBL203997 | 7-methoxy-2-oxochromene-3-carboxylic acid | 7-Methoxy-2-oxo-2H-chromene-3-carboxylic acid # |

Specifications & Purity

≥97%(HPCE)

Biochemical and Physiological Mechanisms

Amine-reactive fluorescent probe. Used for coupling to amines, hydrazines or hydroxylamines on biomolecules of interest.

Storage

Room temperature

Shipped In

Normal

Note

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.

Purity

≥97%(HPCE)

Names and Identifiers

• Pubchem Sid: 504759364
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759364
• Canonical Smiles: COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O
• IUPAC Name: 7-methoxy-2-oxochromene-3-carboxylic acid
• InChIKey: VEEGNDSSWAOLFN-UHFFFAOYSA-N
• INCHI: 1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
• Isomeric SMILES: COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O
• Molecular Weight: 220.18
• Reaxy-Rn: 384199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• External Descriptors: Not available

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

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

SiHa (2051 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Melt Point(°C): 196 °C
• Molecular Weight: 220.180 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.037 Da
• Monoisotopic Mass: 220.037 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 346.000
• 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