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Ethyl 7-Hydroxycoumarin-3-carboxylate - 98%, high purity , CAS No.6093-71-6

COA

Grade & Purity:

≥98%

Cas Number: 6093-71-6
Molecular Weight: 234.21
MDL number: MFCD00017641
PubChem CID: 5289613
PubChem SID: 504763528

In stock

Item Number

E156492

Grouped product items
SKU	Size	Availability	Price
E156492-50mg	50mg	3	$107.90
E156492-250mg	250mg	2	$486.90
E156492-1g	1g	2	$1,749.90

PFKFB3 inhibitor

View related series

Coumarins (70) DNA Methylation (216) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	YZ9 \| E1017 \| 3-CARBETHOXYUMBELIFERONE \| BIM-0006912.P001 \| HMS1679D11 \| 2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-, ethyl ester \| NCGC00379249-01 \| Oprea1_714483 \| SCHEMBL1406240 \| Ethyl 3-umbelliferylcarboxylate \| ethyl 7-hydroxy-2-oxochromene-
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	PFKFB3 (6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase) inhibitor (IC 50 = 0.18 µM). Competitively inhibits Fru-6-P (K i = 94 nM). Inhibits cell growth (GI 50 = 2.7 µM) in a XTT-based in vitro toxicology assay.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives
    - Subclass Hydroxycoumarins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Hydroxycoumarins
Intermediate Tree Nodes	Not available
Direct Parent	7-hydroxycoumarins
Alternative Parents	1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors	Not available
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

MIF Tchem Macrophage migration inhibitory factor (979 Activities)

Discover Target: MIF

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

HeLa (62764 Activities)

Explore this target

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

PFKFB3 Tchem 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (1469 Activities)

Discover Target: PFKFB3

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

Associated Targets(non-human)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

Discover Target: Hsd11b1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)

Discover Target: Hsd11b2

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504763528
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763528
IUPAC Name	ethyl 7-hydroxy-2-oxochromene-3-carboxylate
INCHI	InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
InChIKey	IETDBZQIWIJQJG-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Isomeric SMILES	CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Molecular Weight	234.21
Reaxy-Rn	238042
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=238042&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
L2413108	Certificate of Analysis	Jun 25, 2021	E156492

Chemical and Physical Properties

Sensitivity	Heat sensitive
Melt Point(°C)	170-174℃
Molecular Weight	234.200 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	234.053 Da
Monoisotopic Mass	234.053 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	360.000
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

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