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CHEBI:90690 - U-73122

ChEBI IDCHEBI:90690
ChEBI NameU-73122
Stars
DefinitionAn aza-steroid that is 3-O-methyl-17β-estradiol in which the 17β-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C.
Last Modified19 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC29H40N2O3
Net Charge0
Average Mass464.650
Monoisotopic Mass464.30389
SMILES[H][C@@]12CC[C@]([H])(NCCCCCCN3C(=O)C=CC3=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H]
InChIInChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
InChIKeyLUFAORPFSVMJIW-ZRJUGLEFSA-N
Roles Classification
Biological Role:
EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor  An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of phosphatidylinositol-specific phospholipase C (EC 3.1.4.11).
ChEBI Ontology
Outgoing Relation(s)
U-73122 (CHEBI:90690) has functional parent 17β-estradiol (CHEBI:16469)
U-73122 (CHEBI:90690) has role EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor (CHEBI:64763)
U-73122 (CHEBI:90690) is a aromatic ether (CHEBI:35618)
U-73122 (CHEBI:90690) is a aza-steroid (CHEBI:35726)
U-73122 (CHEBI:90690) is a maleimides (CHEBI:55417)
IUPAC Name 
1-(6-{[(17β)-3-methoxyestra-1(10),2,4-trien-17-yl]amino}hexyl)-1H-pyrrole-2,5-dione
Synonyms  Source
U-73,122ChemIDplus
1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dioneChemIDplus
U 73122ChemIDplus
Registry NumbersSources
Reaxys:8175101Reaxys
CAS:112648-68-7ChemIDplus
Citations