Etalocib

Etalocib

Names
IUPAC name 2-(3-{3-[(5-ethyl-4'-fluoro-2-hydroxybiphenyl-4-yl)oxy]propoxy}-2-propylphenoxy)benzoic acid
Other names LY293111 VML 295
Identifiers
CAS Number	161172-51-6
ChEMBL	ChEMBL329123
ChemSpider	154905
IUPHAR/BPS	2948
Jmol interactive 3D	Image
KEGG	D04074
PubChem	177941
UNII	THY6RIW44R
InChI InChI=1S/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) Key: YFIZRWPXUYFCSN-UHFFFAOYSA-N 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) Key: YFIZRWPXUYFCSN-UHFFFAOYAU InChI=1S/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) Key: YFIZRWPXUYFCSN-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)c4c(O)cc(OCCCOc3cccc(Oc2ccccc2C(=O)O)c3CCC)c(c4)CC
Properties
Chemical formula	C33H33FO6
Molar mass	544.62 g·mol^−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Etalocib is a drug under development for the treatment of various types of cancer, for example non-small-cell lung carcinoma^[1] and pancreatic cancer. It acts as a leukotriene B4 receptor antagonist and a PPARγ agonist.^[2]

References

1. Jänne, P. A.; Paz-Ares, L; Oh, Y; Eschbach, C; Hirsh, V; Enas, N; Brail, L; von Pawel, J (2014). "Randomized, double-blind, phase II trial comparing gemcitabine-cisplatin plus the LTB4 antagonist LY293111 versus gemcitabine-cisplatin plus placebo in first-line non-small-cell lung cancer". Journal of Thoracic Oncology 9 (1): 126–31. doi:10.1097/JTO.0000000000000037. PMID 24346102.
2. Adrian, T. E.; Hennig, R; Friess, H; Ding, X (2008). "The Role of PPARgamma Receptors and Leukotriene B(4) Receptors in Mediating the Effects of LY293111 in Pancreatic Cancer". PPAR Research 2008: 827096. doi:10.1155/2008/827096. PMC 2631651. PMID 19190780.