CHEBI:90690 - U-73122

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ChEBI Name U-73122
ChEBI ID CHEBI:90690
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H40N2O3
Net Charge 0
Average Mass 464.641
Monoisotopic Mass 464.30389
InChI InChI=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
InChIKey LUFAORPFSVMJIW-ZRJUGLEFSA-N
SMILES C1=C2C(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]32[H])C)(NCCCCCCN5C(C=CC5=O)=O)[H])[H])[H])=CC(=C1)OC
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione ChemIDplus
U 73122 ChemIDplus
U-73,122 ChemIDplus
Registry Numbers Types Sources
112648-68-7 CAS Registry Number ChemIDplus
8175101 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25600698 PubMed citation Europe PMC
25758670 PubMed citation Europe PMC
25888510 PubMed citation Europe PMC
26097205 PubMed citation Europe PMC
26350097 PubMed citation Europe PMC
26395809 PubMed citation Europe PMC
26567725 PubMed citation Europe PMC
Last Modified
19 December 2017