| Revision as of 19:29, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458843752 of page A-423,579 for the Chem/Drugbox validation project (updated: 'CASNo'). |
Latest revision as of 15:37, 1 May 2023 edit RaydenAG (talk | contribs)Extended confirmed users699 editsm added a category |
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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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{{Chembox |
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| Verifiedfields = changed |
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| Watchedfields = changed |
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| Watchedfields = changed |
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| verifiedrevid = 456505338 |
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| verifiedrevid = 477234900 |
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| ImageFile = A-423,579_structure.png |
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| ImageFile = A-423,579.svg |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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| ImageSize = 244 |
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| ImageSize = 244 |
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| ImageName = Stereo, Kekulé, skeletal formula of A-423,579 (({})) |
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| ImageName = Stereo, Kekulé, skeletal formula of A-423,579 (({})) |
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| IUPACName = 4-(4-{3-propoxy}-3,5-difluorophenyl)benzonitrile{{Citation needed|date = June 2011}} |
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| PIN = 4′-{3-propoxy}-3′,5′-difluoro-4-carbonitrile |
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| Section1 = {{Chembox Identifiers |
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| Section1 = {{Chembox Identifiers |
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| CASNo_Ref = {{cascite|changed|??}} |
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| CASNo_Ref = {{cascite|changed|??}} |
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| CASNo = <!-- blanked - oldvalue: 461045-17-0 --> |
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| CASNo = 461045-17-0 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| PubChem1 = 22994515 |
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| UNII = Q2CW3V5WGF |
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| PubChem1_Ref = {{Pubchemcite|correct|pubchem}} |
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| PubChem = 11349657 |
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| PubChem1 = 22994515 |
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| PubChem_Comment = <small>(''R'')</small> |
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| PubChem = 11349657 |
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| PubChem_Comment = <small>(''R'')</small> |
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| ChemSpiderID1 = 13210784 |
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| PubChem_Ref = {{Pubchemcite|correct|pubchem}} |
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| ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID1 = 13210784 |
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| ChemSpiderID = 9524593 |
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| ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 9524593 |
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| ChemSpiderID_Comment = <small>(''R'')</small> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChEMBL = 498228 |
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| ChemSpiderID_Comment = <small>(''R'')</small> |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 498228 |
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| SMILES1 = CN(C)C1CCN(CCCOc2c(F)cc(cc2F):c2ccc(cc2)C#N)C1 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| SMILES1 = CN(C)C1CCN(CCCOc2c(F)cc(cc2F):c2ccc(cc2)C#N)C1 |
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| SMILES = CN(C)C1CCN(CCCOC2=C(F)C=C(C=C2F)C2=CC=C(C=C2)C#N)C1 |
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| StdInChI = 1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1 |
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| SMILES = CN(C)C1CCN(CCCOC2=C(F)C=C(C=C2F)C2=CC=C(C=C2)C#N)C1 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1 |
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| StdInChIKey = DJXFZKXYKKBTDR-LJQANCHMSA-N |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = DJXFZKXYKKBTDR-LJQANCHMSA-N |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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}} |
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}} |
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| Section2 = {{Chembox Properties |
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| Section2 = {{Chembox Properties |
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| C=22|N=3|H=25|O=1|F=2 |
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| C=22 | N=3 | H=25 | O=1 | F=2 |
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| MolarMass = 385.4502 g mol<sup>-1</sup> |
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| MolarMass = 385.4502 g/mol |
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| ExactMass = 385.196568847 g mol<sup>-1</sup> |
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}} |
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'''A-423,579''' is one of a range of ]s developed by ] which are selective for the ] subtype, and have ] and ] effects in animal studies making them potentially useful treatments for ]. A-423,579 has improved characteristics over earlier drugs in the series with both high efficacy and low toxicity in studies on mice, and is currently in clinical development.<ref>{{cite journal |vauthors=Hancock AA, Diehl MS, Faghih R, Bush EN, Krueger KM, Krishna G, Miller TR, Wilcox DM, Nguyen P, Pratt JK, Cowart MD, Esbenshade TA, Jacobson PB |title=In vitro optimization of structure activity relationships of analogues of A-331440 combining radioligand receptor binding assays and micronucleus assays of potential antiobesity histamine H3 receptor antagonists |journal=Basic & Clinical Pharmacology & Toxicology |volume=95 |issue=3 |pages=144–52 |date=September 2004 |pmid=15447739 |doi=10.1111/j.1742-7843.2004.950307.x |doi-access=free }}</ref><ref>{{cite journal |vauthors =Hancock AA, Diehl MS, Fey TA, Bush EN, Faghih R, Miller TR, Krueger KM, Pratt JK, Cowart MD, Dickinson RW, Shapiro R, Knourek-Segel VE, Droz BA, McDowell CA, Krishna G, Brune ME, Esbenshade TA, Jacobson PB |title=Antiobesity evaluation of histamine H3 receptor (H3R) antagonist analogs of A-331440 with improved safety and efficacy |journal=Inflammation Research |volume=54 |issue= |pages=S27–9 |date=April 2005 |pmid=15928821 |doi=10.1007/s00011-004-0412-z |s2cid=22094031 }}</ref> |
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== References == |
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{{Reflist}} |
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{{Histaminergics}} |
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{{Gastrointestinal-drug-stub}} |