Wikipedia:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox and Pifithrin: Difference between pages
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Saving copy of the {{chembox}} taken from revid 417928399 of page Pifithrin for the Chem/Drugbox validation project (updated: ''). |
m Disambiguating links to Merck (link changed to Merck Group) using DisamAssist. |
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{{more citations needed|date=April 2022}} |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid [{{fullurl:Pifithrin|oldid=417928399}} 417928399] of page [[Pifithrin]] with values updated to verified values.}} |
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{{chembox |
{{chembox |
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| Watchedfields = changed |
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| IUPACName = 2-amino-3-[2-(4-methylphenyl)-2-oxoethyl]-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-ylium bromide |
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|Section1={{Chembox Identifiers |
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| index_label = α |
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| index1_label = β |
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| InChIKey = KXMMOFYVZLFBEG-REWHXWOFAW |
| InChIKey = KXMMOFYVZLFBEG-REWHXWOFAW |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 556353 |
| ChEMBL = 556353 |
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| ChEMBL1 = 193504 |
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| ChEBI = 93168 |
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| ChEBI1 = 92551 |
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| KEGG1 = C11571 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H |
| StdInChI = 1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = HAGVCKULCLQGRF-UHFFFAOYSA-N |
| StdInChIKey = HAGVCKULCLQGRF-UHFFFAOYSA-N |
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| InChI1=1S/C16H16N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h6-10H,2-5H2,1H3 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo1_Ref = {{cascite|correct|CAS}} |
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| CASNo1 = 60477-34-1 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| PubChem = 4817 |
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| PubChem1 = 443278 |
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| DTXSID = DTXSID10432994 |
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| MeltingPt = 192.1 °C |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = D213B92S1Y |
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| UNII1_Ref = {{fdacite|correct|FDA}} |
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| UNII1 = 45I8QO7K37 |
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| SMILES = CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N |
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| SMILES1 = CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2 |
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| MeltingPtC = 192.1 |
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'''Pifithrin-α''' (chemical name 2-(2-Imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone hydrobromide<ref>{{Cite web |title=sigmaaldrich.com |url=https://www.sigmaaldrich.com/GB/en/product/sigma/p4359 |website=[[Merck Group|Merck]]}}</ref>) is an off-white in color chemical inhibitor of [[p53]]. It has a molecular weight of 367.30 and is soluble in [[Dimethyl sulfoxide|DMSO]] up to 20 mg/mL. Its melting point is 192.1-192.5 °C. |
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{{reflist}} |
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[[Category:Ketones]] |
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[[Category:Benzothiazoles]] |
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[[Category:Bromides]] |
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{{ketone-stub}} |