2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid
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![2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b5eb49fcaef54adbb823e104211aae92.png "2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid")
2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid
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CAS No:
161172-51-6
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Formula:
C33H33FO6
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Chemical Name:
2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid
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Synonyms:
Benzoic acid,2-[3-[3-[(5-ethyl-4′-fluoro-2-hydroxy[1,1′-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]-;2-[3-[3-[(5-Ethyl-4′-fluoro-2-hydroxy[1,1′-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]benzoic acid;LY 293111;VML 295;2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid;Etalocib
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CAS No:
Description
Etalocib has been used in trials studying the treatment of Pancreatic Cancer, Carcinoma, Non-Small-Cell Lung, and Unspecified Adult Solid Tumor, Protocol Specific.|Etalocib is a second-generation selective leukotriene B4 receptor (LTB4R) antagonist with potential antineoplastic activity. Although the exact underlying mechanism through which LY293111 exerts its effects has not been fully elucidated, this agent selectively binds to and blocks LTB4Rs, thereby inhibiting the downstream signalling pathway. LY29311 has been shown to induce apoptosis and inhibits cellular proliferation in LTB4R expressing cells, such as pancreatic cancer cells.
2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid Basic Attributes
544.6099232
544.61
THY6RIW44R
DTXSID70167073
C1626
Characteristics
85.2
8.5
1'+-.0.06 g/cm3(Predicted)
68-70 °C @ Solvent: Acetonitrile
656.8±55.0 °C(Predicted)
Drug Information
2-(2-propyl-3-(3-(2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy)propoxy)phenoxy)benzoic acid
2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid Use and Manufacturing
Antineoplastic (inhibits formation of 5-LO, LTB4,LTC4, and thromboxane B2(TxB2); activates PPARγ nuclear receptors).
Computed Properties
Molecular Weight:544.6
XLogP3:8.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:544.22611693
Monoisotopic Mass:544.22611693
Topological Polar Surface Area:85.2
Heavy Atom Count:40
Complexity:743
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid
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