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> Main
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.
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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)-1
H
-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
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