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MedKoo Cat#: 464841 | Name: Isoscopoletin
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isoscopoletin is a coumarin that has been found in D. fragrans and has diverse biological activities and is an active metabolite of scoparone. It is formed from scoparone by the cytochrome P450 (CYP) isoform Cyp2c29 in mouse liver microsomes. Isoscopoletin is cytotoxic to A549 lung, MCF-7 breast, and HepG2 liver cancer cells (IC50s = 5.25, 8.58, and 4.76 µM, respectively). It is active against Gram-positive and Gram-negative bacteria, including S. aureus and E. coli, respectively, as well as the plant pathogenic fungus A. niger, in agar diffusion assays. Isoscopoletin inhibits 15-lipoxygenase (15-LO; IC50 = 15.1 µM) and reduces paw thickness in a rat model of carrageenan-induced paw edema when administered at a dose of 0.1 mg/kg.

Chemical Structure

Isoscopoletin
Isoscopoletin
CAS#776-86-3

Theoretical Analysis

MedKoo Cat#: 464841

Name: Isoscopoletin

CAS#: 776-86-3

Chemical Formula: C10H8O4

Exact Mass: 192.0423

Molecular Weight: 192.17

Elemental Analysis: C, 62.50; H, 4.20; O, 33.30

Price and Availability

Size Price Availability Quantity
25mg USD 350.00 2 Weeks
50mg USD 550.00 2 Weeks
100mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
Isoscopoletin; Esculetin 7-methyl ether; 7-methoxy-6-Hydroxycoumarin; 7-Methoxyesculetin; 7 Methoxyesculetin; 7Methoxyesculetin;
IUPAC/Chemical Name
6-hydroxy-7-methoxy-2H-chromen-2-one
InChi Key
SYTYLPHCLSSCOJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
SMILES Code
O=C1OC2=C(C=C(C(OC)=C2)O)C=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
Chloroform 1.0 5.20
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 192.17 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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