Phorbol 12,13-dibutyrate: Difference between revisions

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 {{Chembox
+| Verifiedfields = changed
+| Watchedfields = changed
+| verifiedrevid = 400761335
 | ImageFile = Phorbol 12,13-dibutyrate.png
 | ImageSize = 200px
+| PIN = (1a''R'',1b''S'',4a''R'',7a''S'',7b''S'',8''R'',9''R'',9a''S'')-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9a''H''-cyclopropa[3,4]benzo[1,2-''e'']azulene-9,9a-diyl dibutanoate
-| IUPACName =
 | OtherNames = Phorbol dibutyrate; Phorbol 12,13-dibutanoate
-| Section1 = {{Chembox Identifiers
+|Section1={{Chembox Identifiers
 | Abbreviations = PDBu
+| CASNo_Ref = {{cascite|correct|??}}
 | CASNo = 37558-16-0
+| UNII_Ref = {{fdacite|correct|FDA}}
+| UNII = 67MX82CL58
 | PubChem = 37783
+|  ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
-| SMILES = CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C}}
+| ChemSpiderID = 34645
-| Section2 = {{Chembox Properties
+|  InChI = 1/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
-| C=28|H=40|O=8
+|  InChIKey = BQJRUJTZSGYBEZ-YVQNUNKEBT
+|  StdInChI_Ref = {{stdinchicite|changed|chemspider}}
+| StdInChI = 1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
+|  StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
+| StdInChIKey = BQJRUJTZSGYBEZ-YVQNUNKESA-N
+| SMILES = CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C
+|  ChEBI_Ref = {{ebicite|changed|EBI}}
+| ChEBI = 17598
+|  KEGG_Ref = {{keggcite|changed|kegg}}
+| KEGG = C03634}}
+|Section2={{Chembox Properties
+| C=28 | H=40 | O=8
 | Appearance =
 | Density =
@@ Line 16: / Line 34: @@
 | BoilingPt =
 | Solubility = }}
-| Section3 = {{Chembox Hazards
+|Section3={{Chembox Hazards
 | MainHazards =
 | FlashPt =
-| Autoignition = }}
+| AutoignitionPt = }}
 }}
-'''Phorbol 12,13-dibutyrate''' ('''PDBu''') is a [[phorbol ester]] which is one of the constituents of [[croton oil]].  As an activator of [[protein kinase C]], it is a weak tumor promoter compared to [[12-O-Tetradecanoylphorbol-13-acetate|12-''O''-Tetradecanoylphorbol-13-acetate]].<ref>{{cite journal|doi=10.1111/j.1749-6632.1983.tb47836.x|author=Blumberg P M; Delclos K B; Dunn J A; Jaken S; Leach K L; Yeh E   | year=1983 | title=Phorbol ester receptors and the in vitro effects of tumor promoters | journal=Annals of the New York Academy of Sciences | volume=407  | pages=303–315|pmid=6309054}}</ref>
+'''Phorbol 12,13-dibutyrate''' ('''PDBu''') is a [[phorbol ester]] which is one of the constituents of [[croton oil]].  As an activator of [[protein kinase C]], it is a weak tumor promoter compared to [[12-O-Tetradecanoylphorbol-13-acetate|12-''O''-tetradecanoylphorbol-13-acetate]].<ref>{{cite journal|doi=10.1111/j.1749-6632.1983.tb47836.x|vauthors=Blumberg PM, Delclos KB, Dunn JA, Jaken S, Leach KL, Yeh E | year=1983 | title=Phorbol ester receptors and the in vitro effects of tumor promoters | journal=Annals of the New York Academy of Sciences | volume=407  |issue=1 | pages=303–315|pmid=6309054|bibcode=1983NYASA.407..303B |s2cid=20089027 }}</ref>
 PDBu is widely used as a chemical reagent because of its [[solubility]] in water and other organic solvents.
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 {{reflist}}
-[[Category:carboxylate esters]]
+[[Category:Butyrate esters]]
+[[Category:Diterpenes]]
+[[Category:Alcohols]]
+[[Category:Ketones]]
+[[Category:Carcinogens]]
+[[Category:Cyclopentenes]]
+[[Category:Phorbol esters]]