161172-51-6

Basic information

• Product Name: Etalocib
• Synonyms: Etalocib;LY293111;VML 295;YFIZRWPXUYFCSN-UHFFFAOYSA-N
• CAS NO: 161172-51-6
• Molecular Formula: C33H33FO6
• Molecular Weight: 544.6099232
• Mol File: 161172-51-6.mol

Chemical Properties

• Melting Point: 68-70 °C(Solv: acetonitrile (75-05-8))
• Boiling Point: 656.8°Cat760mmHg
• Flash Point: 351°C
• Appearance: /
• Density: 1.215g/cm³
• Vapor Pressure: 3.8E-18mmHg at 25°C
• Refractive Index: 1.593
• PKA: 3.32±0.36(Predicted)
• CAS DataBase Reference: Etalocib(CAS DataBase Reference)
• NIST Chemistry Reference: Etalocib(161172-51-6)
• EPA Substance Registry System: Etalocib(161172-51-6)

Safety Data

• Hazardous Substances Data: 161172-51-6(Hazardous Substances Data)

Usage

Uses

Used in Antineoplastic Applications:
Etalocib is used as an antineoplastic agent for its ability to inhibit the formation of leukotrienes, which are involved in various inflammatory and cancer-related processes. By targeting PPARγ nuclear receptors, Etalocib modulates cellular signaling pathways, potentially leading to the suppression of tumor growth and progression.
Used in Neuroprotection:
In the field of neuroscience, Etalocib is used as a neuroprotective agent to safeguard neurons from cell death induced by sPLA2-IB. Its mechanism of action is independent of leukotriene receptor blocking, making it a valuable compound for the development of novel therapeutic strategies to protect neurons and potentially treat neurodegenerative diseases.
Used in Drug Development:
Etalocib's unique properties make it a promising candidate for drug development in various industries, including pharmaceuticals and biotechnology. Its dual action as an antineoplastic agent and a neuroprotective compound opens up possibilities for the development of new drugs targeting cancer and neurological disorders.

InChI:InChI=1/C33H33FO6/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)

Upstream product

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Relevant articles and documents

An efficient synthesis of a multipotent eicosanoid pathway modulator

An efficient, scalable synthesis of the multipotent eicosanoid pathway modulator 2-[3-[3[[5-ethyl-4'-fluoro-2-hydroxyl[1,1'-bi-phenyl]4-yl]oxy]- propoxy]2-propoxylphenoxy]benzoic acid (1) is described. The process consists of nine chemical steps with the

LEUKOTRIENE ANTAGONISTS FOR USE IN THE TREATMENT OR INHIBITION OF ORAL SQUAMOUS CELL CARCINOMA

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Synthetic and structure/activity studies on acid-substituted 2- arylphenols: Discovery of 2-[2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5- hydroxyphenoxy]-propoxy]phenoxy]benzoic acid, a high-affinity leukotriene B4 receptor antagonist

Structural derivatives of LY255283 have been studied as receptor antagonists of leukotriene B4. Substitution of the 2-hydroxyacetophenone subunit of 1 (LY255283) with a 2-arylphenol group provided entry into several new series that feature various mono- and diacidic core functionality. These new analogues, the subject of a broad structure-activity investigation, displayed significantly increased in vitro and in vive activity as receptor antagonists of LTB4. A series of diaryl ether carboxylic acids demonstrated especially interesting activity and led to the discovery of compound 43b, 2- [2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]- propoxy]phenoxy]benzoic acid (LY293111), a 2-arylphenol-substituted diaryl ether carboxylic acid which displayed potent binding to human neutrophils (IC50 = 17 ± 4.6 nM) and guinea pig lung membranes (IC50 = 6.6 ± 0.71 nM), inhibition of LTB4-induced expression of the CD11b/CD18 receptor on human neutrophils (IC50 = 3.3 ± 0.81 nM), and inhibition of LTB4-induced contraction of guinea pig lung parenchyma (pK(B) = 8.7 ± 0.16). In vivo, 43b demonstrated potent activity in inhibiting LTB4-induced airway obstruction in the guinea pig when dosed by the oral (ED50 = 0.40 mg/kg) or intravenous (ED50 = 0.014 mg/kg) routes. A specific LTB4 receptor antagonist, 43b had little effect on inhibiting contractions of guinea pig lung parenchyma induced by leukotriene D4 (LTD4), histamine, carbachol, or U46619. Compound 43b has been chosen as a clinical candidate and is currently in phase I studies for a variety of inflammatory diseases.