| Revision as of 11:32, 17 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443737648 of page Etalocib for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI'). |
Latest revision as of 12:20, 5 September 2024 edit JWBE (talk | contribs)Extended confirmed users10,126 edits removed Category:Fluoroarenes; added Category:4-Fluorophenyl compounds using HotCat |
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{{Chembox |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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| verifiedrevid = 461095969 |
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| ImageFile = Etalocib.svg |
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| ImageSize = 250px |
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| PIN = 2<sup>5</sup>-Ethyl-1<sup>4</sup>-fluoro-2<sup>2</sup>-hydroxy-8<sup>2</sup>-propyl-3,7,9-trioxa-1,10(1),2(1,4),8(1,3)-tetrabenzenadecaphane-10<sup>2</sup>-carboxylic acid |
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| OtherNames = LY293111<br/>VML 295 |
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|Section1={{Chembox Identifiers |
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| IUPHAR_ligand = 2948 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = THY6RIW44R |
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| UNII = THY6RIW44R |
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| CASNo_Ref = {{cascite|changed|??}} |
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| ImageFile = etalocib structure.png |
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| CASNo = 161172-51-6 |
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| ImageSize = |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| IUPACName = 2-(3-{3-propoxy}-2-propylphenoxy)benzoic acid |
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| OtherNames = |
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| ChEMBL = 329123 |
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| Section1 = {{Chembox Identifiers |
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| 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) |
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| InChIKey = YFIZRWPXUYFCSN-UHFFFAOYAU |
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| InChI1 = 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) |
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| InChIKey1 = YFIZRWPXUYFCSN-UHFFFAOYSA-N |
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| CASNo = |
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| ChEMBL = 329123 |
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| PubChem = 177941 |
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| PubChem = 177941 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 154905 |
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| ChemSpiderID = 154905 |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = D04074 |
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| KEGG = D04074 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = YFIZRWPXUYFCSN-UHFFFAOYSA-N |
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| StdInChIKey = YFIZRWPXUYFCSN-UHFFFAOYSA-N |
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| SMILES = Fc1ccc(cc1)c4c(O)cc(OCCCOc3cccc(Oc2ccccc2C(=O)O)c3CCC)c(c4)CC |
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| SMILES = Fc1ccc(cc1)c4c(O)cc(OCCCOc3cccc(Oc2ccccc2C(=O)O)c3CCC)c(c4)CC |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 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) |
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| StdInChI = 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) |
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| Section2 = {{Chembox Properties |
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|Section2={{Chembox Properties |
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| Formula = C<sub>33</sub>H<sub>33</sub>FO<sub>6</sub> |
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| C=33 | H=33 | F=1 | O=6 |
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| MolarMass = 544.61 |
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| Section3 = {{Chembox Hazards |
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|Section3={{Chembox Hazards |
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'''Etalocib''' is a drug candidate that was under development for the treatment of various types of cancer.<ref>{{Cite journal | pmid = 24346102| year = 2014| last1 = Jänne| first1 = P. A.| title = 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 = Journal of Thoracic Oncology| volume = 9| issue = 1| pages = 126–31| last2 = Paz-Ares| first2 = L| last3 = Oh| first3 = Y| last4 = Eschbach| first4 = C| last5 = Hirsh| first5 = V| last6 = Enas| first6 = N| last7 = Brail| first7 = L| last8 = von Pawel| first8 = J| doi = 10.1097/JTO.0000000000000037| doi-access = free}}</ref> It acts as a ] ] and a ].<ref>{{Cite journal | pmid = 19190780| year = 2008| last1 = Adrian| first1 = T. E.| title = The Role of PPARgamma Receptors and Leukotriene B(4) Receptors in Mediating the Effects of LY293111 in Pancreatic Cancer| journal = PPAR Research| volume = 2008| pages = 827096| last2 = Hennig| first2 = R| last3 = Friess| first3 = H| last4 = Ding| first4 = X| doi = 10.1155/2008/827096| pmc = 2631651| doi-access = free}}</ref> |
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Clinical trials were conducted measuring efficacy for treatment of ] and ] and the inflammatory conditions ], ], and ], but were suspended due to lack of efficacy.<ref>{{cite web|title=Etalocib|url=http://adisinsight.springer.com/drugs/800003262|website=Adisinsight|access-date=31 January 2017}}</ref> |
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==References== |
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{{Reflist}} |
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{{Asthma and copd rx}} |
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{{Leukotriene signaling modulators}} |
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{{PPAR modulators}} |
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{{antineoplastic-drug-stub}} |