MedKoo Cat#: 127286 | Name: Etalocib sodium

Description:

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

Etalocib (LY293111, VML295) is a small-molecule benzofuran derivative originally developed as a leukotriene B4 receptor antagonist and later identified as a peroxisome proliferator-activated receptor gamma (PPARγ) agonist. It exhibits anti-inflammatory and anticancer properties. In preclinical models, Etalocib has shown nanomolar potency in inhibiting LTB4 binding to its receptor (IC₅₀ ≈ 5–10 nM) and demonstrates significant PPARγ activation at micromolar concentrations (EC₅₀ ≈ 1–5 µM). Antitumor activity has been observed in various cancer cell lines, including pancreatic and colon cancer, with reported GI₅₀ values ranging from ~0.5 to 5 µM.

Chemical Structure

Etalocib sodium
Etalocib sodium
CAS#152608-41-8 (sodium)

Theoretical Analysis

MedKoo Cat#: 127286

Name: Etalocib sodium

CAS#: 152608-41-8 (sodium)

Chemical Formula: C33H32FNaO6

Exact Mass: 566.2081

Molecular Weight: 566.60

Elemental Analysis: C, 69.95; H, 5.69; F, 3.35; Na, 4.06; O, 16.94

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Etalocib sodium; Etalocibum; VML295; VML-295; VML 295; LY293111; LY-293111; LY 293111; PDSP2001221; PDSP1001237;
IUPAC/Chemical Name
sodium 2-(3-(3-((5-ethyl-4'-fluoro-2-hydroxy-[1,1'-biphenyl]-4-yl)oxy)propoxy)-2-propylphenoxy)benzoate
InChi Key
GKDIMGQSBSDJNC-UHFFFAOYSA-M
InChi Code
InChI=1S/C33H33FO6.Na/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23;/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37);/q;+1/p-1
SMILES Code
[Na+].CCCC1=C(OC2=C(C=CC=C2)C([O-])=O)C=CC=C1OCCCOC3=C(CC)C=C(C(O)=C3)C4=CC=C(F)C=C4
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 566.60 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