Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H24Cl2N2O |
| Molecular Weight | 391.334 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC=C(Cl)C(Cl)=C3
InChI
InChIKey=AEJOEPSMZCEYJN-HXUWFJFHSA-N
InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
| Molecular Formula | C21H24Cl2N2O |
| Molecular Weight | 391.334 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL246 |
|||
Target ID: EntrezGene ID 100717592 |
1.6 nM [EC50] | ||
Target ID: CHEMBL237 |
0.04 nM [Ki] | ||
Target ID: CHEMBL233 |
53.0 nM [Ki] | ||
Target ID: CHEMBL236 |
24.0 nM [Ki] | ||
Target ID: CHEMBL289 |
26.0 nM [IC50] | ||
Target ID: P13945 Gene ID: 155.0 Gene Symbol: ADRB3 Target Organism: Homo sapiens (Human) |
|||
Target ID: P08588 Gene ID: 153.0 Gene Symbol: ADRB1 Target Organism: Homo sapiens (Human) |
|||
Target ID: P07550|||Q53GA6|||Q9UCZ3 Gene ID: 154.0 Gene Symbol: ADRB2 Target Organism: Homo sapiens (Human) |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Fluoroalkylated silicon-containing surfaces-estimation of solid-surface energy. | 2010-12 |
|
| Organoclay particles as reinforcing agents in polysaccharide films. | 2010-07-01 |
|
| Efficient assembly of 2,5,6-substituted pyrimidines via MgI(2)-mediated Morita-Baylis-Hillman reaction. | 2010-05-10 |
|
| Hyperfine resolved Fourier transform microwave and millimeter-wave spectroscopy of the iodomethyl radical, CH2I (X2B1). | 2010-04-15 |
|
| Influence of interaction energy between Si-doped diamond-like carbon films and bacteria on bacterial adhesion under flow conditions. | 2010-04 |
|
| Influence of surface free energy on the adhesion of marine benthic diatom Nitzschia closterium MMDL533. | 2010-02-01 |
|
| Enamel bonding of single-step self-etch adhesives: influence of surface energy characteristics. | 2010-02 |
|
| Surface free energy and topography of mixed lipid layers on mica. | 2010-01-01 |
|
| Correlation between surface free energy of quartz and its wettability by aqueous solutions of nonionic, anionic and cationic surfactants. | 2009-12-15 |
|
| Involvement of S-adenosylmethionine-dependent halide/thiol methyltransferase (HTMT) in methyl halide emissions from agricultural plants: isolation and characterization of an HTMT-coding gene from Raphanus sativus (daikon radish). | 2009-09-01 |
|
| Nanoscale cellulose films with different crystallinities and mesostructures--their surface properties and interaction with water. | 2009-07-07 |
|
| Optical waveguide BTX gas sensor based on polyacrylate resin thin film. | 2009-07-01 |
|
| One-pot method for build-up nanoporous super oil-repellent films. | 2009-07-01 |
|
| Imaging exocytosis in retinal bipolar cells with TIRF microscopy. | 2009-06-09 |
|
| Wetting study of imidazolium ionic liquids. | 2009-02-15 |
|
| Characterization of biomaterials polar interactions in physiological conditions using liquid-liquid contact angle measurements: relation to fibronectin adsorption. | 2009-02-01 |
|
| Comparison of different methods to measure contact angles of soil colloids. | 2008-12-15 |
|
| Resonance Raman study of the A-band short-time photodissociation dynamics of 2,5-di-iodothiophene. | 2008-12-07 |
|
| Convenient one-pot synthesis of (E)-beta-aryl vinyl halides from benzyl bromides and dihalomethanes. | 2008-12-04 |
|
| Improved procedure for the synthesis of gem-diiodoalkanes by the alkylation of diiodomethane. scope and limitations. | 2008-10-17 |
|
| Contact angles of diiodomethane on silicon-doped diamond-like carbon coatings in electrolyte solutions. | 2008-10-15 |
|
| A kinetic and spectroscopic study of the CH3I-Cl and ICH2I-Cl adducts. | 2008-10-02 |
|
| Novel x-ray attenuation mechanism: role of interatomic distance. | 2008-10 |
|
| Contact angles of oils on solid substrates in aqueous media: correlation with AFM data on protein adhesion. | 2008-09-16 |
|
| AFM forces measured between gold surfaces coated with self-assembled monolayers of 1-hexadecanethiol. | 2008-08-05 |
|
| AFM probing in aqueous environment of Staphylococcus epidermidis cells naturally immobilised on glass: physico-chemistry behind the successful immobilisation. | 2008-05-01 |
|
| Photodissociation of CH2I2 and subsequent electron transfer in solution. | 2008-04-07 |
|
| Effect of UV irradiation on the surface Gibbs energy of Ti6Al4V and thermally oxidized Ti6Al4V. | 2008-04-01 |
|
| Absolute rate coefficient determination and reaction mechanism investigation for the reaction of Cl atoms with CH2I2 and the oxidation mechanism of CH2I radicals. | 2008-02-21 |
|
| Carbocyclization reaction of omega-iodo- and 1,omega-diiodo-1-alkynes without the loss of iodine atoms through a carbenoid-chain process. | 2008-01-04 |
|
| Dewetting and surface properties of ultrathin films of cellulose esters. | 2007-12-15 |
|
| Adhesion modeling on rough low linear density polyethylene. | 2007-11 |
|
| Wettability and topography of phospholipid DPPC multilayers deposited by spin-coating on glass, silicon, and mica slides. | 2007-09-25 |
|
| Surface treatment and characterization of ITO thin films using atmospheric pressure plasma for organic light emitting diodes. | 2007-06-15 |
|
| Electron stimulated reactions of methyl iodide coadsorbed with amorphous solid water. | 2007-05-28 |
|
| Positive role of cell wall anchored proteinase PrtP in adhesion of lactococci. | 2007-05-02 |
|
| Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane. | 2007-04-23 |
|
| Cellulose thin films: degree of cellulose ordering and its influence on adhesion. | 2007-03 |
|
| Photoinduced amphiphilic property of InNbO4 thin film. | 2007-02-13 |
|
| Combinatorial and high-throughput screening of the effect of siloxane composition on the surface properties of crosslinked siloxane-polyurethane coatings. | 2007-01-09 |
|
| Dehydroiodination of iodo- and diiodomethane by a transient phosphinidene complex. | 2007 |
|
| Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases. | 2006-12 |
|
| A critical evaluation of the binary and ternary solid-oil-water and solid-water-oil interaction. | 2006-11-16 |
|
| Topography and surface free energy of DPPC layers deposited on a glass, mica, or PMMA support. | 2006-08-15 |
|
| Wettability of paracetamol polymorphic forms I and II. | 2006-08-01 |
|
| Formation and decomposition of C3 metallacycles from ethylene and methylene on MoAl alloy thin films. | 2006-05-31 |
|
| Photodissociation reaction of 1,2-diiodoethane in solution: a theoretical and X-ray diffraction study. | 2005-11-17 |
|
| The chemistry of CH2I2 on MoAl alloy thin films formed on dehydroxylated alumina: insight into methylene insertion reactions. | 2005-08-18 |
|
| Complete stereospecific cyclopropanation of alpha,beta-unsaturated amides promoted by Sm/CH2I2. | 2002-06-03 |
|
| Beta 1- and beta 2-adrenoceptor antagonist activities of ICI-215001, a putative beta 3-adrenoceptor agonist. | 1994-05 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 05:37:29 GMT 2025
by
admin
on
Wed Apr 02 05:37:29 GMT 2025
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| Record UNII |
Q5R50X7L6M
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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DTXSID101029523
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Q5R50X7L6M
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3082718
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159531-32-5
Created by
admin on Wed Apr 02 05:37:29 GMT 2025 , Edited by admin on Wed Apr 02 05:37:29 GMT 2025
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NON-SPECIFIC STEREOCHEMISTRY | |||
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116508-24-8
Created by
admin on Wed Apr 02 05:37:29 GMT 2025 , Edited by admin on Wed Apr 02 05:37:29 GMT 2025
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ICI-199,441
Created by
admin on Wed Apr 02 05:37:29 GMT 2025 , Edited by admin on Wed Apr 02 05:37:29 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT | |||
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TARGET -> AGONIST |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
