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U-73122

CAT: 1106-BML-ST391-0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-ST391-0005Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112648-68-7
Product Name Alternative
1- (6- ((17β-3-methoxyestra-1,3,5 (10) -trien-17-yl) amino) hexyl) -1H-pyrrole-2,5-dione
Certification
RUO
Target
Lipoxygenase, Phospholipase, PLC
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended. U73122 is only sparingly soluble in aqueous media. Therefore the compounds are delivered to cells either after dissolving in organic solvents or complexing with serum proteins. Serum albumin (1-10mg/ml) .Dissolve a weighed amount of U-73122 in methylene chloride or chloroform. Dispense in aliquots sufficient for one experiment into suitable vessels. Evaporate solvent with nitrogen. Stock solutions in DMSO or ethanol are stable for 2 months when stored at -20°C. Preferably dissolve just before use. Use caution in reusing stored DMSO solutions. Discard solutions that have turned to a pink color, which indicates a loss of inhibitor activity. Dried aliquots prepared from chloroform solutions are stable for up to 1 month when stored at -20°C.Useful range of concentrations for U-73122 is 0.1 to 10μM. The appropriate concentration will depend upon the cell type, cell density, medium concentration (the maleimide moiety of U-73122 may react with thiol containing compounds) and the particular cell parameter that is being measured.
Purity
≥98% (HPLC)
Solubility
Soluble in methylene chloride or chloroform. Slightly soluble in DMSO (2mg/ml) or 100% ethanol (1mg/ml), sparingly soluble in aqueous solutions.
Molecular Formula
C 29 H 40 N 2 O 3
Molecular Weight
464.7
Shipping Conditions
Ambient Temperature
Storage Conditions
Ambient
Appearance
White to off-white solid

Chemical Information

1-(6-(((17beta)-3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione

U-73122 is an aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C. It has a role as an EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor. It is an aromatic ether, an aza-steroid and a member of maleimides. It is functionally related to a 17beta-estradiol.

CAS Number112648-68-7
PubChem CID104794
IUPAC Name1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione
Molecular FormulaC29H40N2O3
Molecular Weight464.6
XLogP4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity763
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC
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
Chemical Structure
2D Structure
2D structure of 1-(6-(((17beta)-3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione
CAS: 112648-68-7
CID: 104794
Formula: C29H40N2O3
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass464.30389314
Monoisotopic Mass464.30389314
Topological Polar Surface Area58.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes