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686344-29-6,MFCD11973672
Catalog No.:AA00FBXY

686344-29-6 | Otenabant

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5mg
≥98%
in stock  
$206.00   $144.00
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10mg
≥98%
in stock  
$266.00   $187.00
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25mg
≥98%
in stock  
$529.00   $370.00
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50mg
≥98%
in stock  
$757.00   $530.00
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100mg
≥98%
in stock  
$1,318.00   $923.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00FBXY
Chemical Name:
Otenabant
CAS Number:
686344-29-6
Molecular Formula:
C25H25Cl2N7O
Molecular Weight:
510.4183
MDL Number:
MFCD11973672
SMILES:
CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N
Properties
Computed Properties
 
Complexity:
729  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
4.3  

Literature

Title: Design and synthesis of cannabinoid receptor 1 antagonists for peripheral selectivity.

Journal: Journal of medicinal chemistry 20120322

Title: Excretion, metabolism, and pharmacokinetics of 1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide, a selective cannabinoid receptor antagonist, in healthy male volunteers.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120301

Title: Anti-Obesity Drugs: A Review about Their Effects and Safety.

Journal: Diabetes & metabolism journal 20120201

Title: Excretion, metabolism, and pharmacokinetics of CP-945,598, a selective cannabinoid receptor antagonist, in rats, mice, and dogs.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20111201

Title: Efficacy and safety of CP-945,598, a selective cannabinoid CB1 receptor antagonist, on weight loss and maintenance.

Journal: Obesity (Silver Spring, Md.) 20110701

Title: Perspectives of CB1 Antagonist in Treatment of Obesity: Experience of RIO-Asia.

Journal: Journal of obesity 20110101

Title: In vitro and in vivo pharmacology of CP-945,598, a potent and selective cannabinoid CB(1) receptor antagonist for the management of obesity.

Journal: Biochemical and biophysical research communications 20100402

Title: Chemical and biological investigation of cyclopropyl containing diaryl-pyrazole-3-carboxamides as novel and potent cannabinoid type 1 receptor antagonists.

Journal: Journal of medicinal chemistry 20090723

Title: Cannabinoid receptor antagonists: pharmacological opportunities, clinical experience, and translational prognosis.

Journal: Expert opinion on emerging drugs 20090301

Title: Discovery of 1-[9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxylic acid amide hydrochloride (CP-945,598), a novel, potent, and selective cannabinoid type 1 receptor antagonist.

Journal: Journal of medicinal chemistry 20090122

Title: John R. Hadcock, et al. In vitro and in vivo pharmacology of CP-945,598, a potent and selective cannabinoid CB1 receptor antagonist for the management of obesity. Biochemical and Biophysical Research Communications, 2010; 394;366-371.

Title: Griffith DA, et al. Discovery of 1-[9-(4-chlorophenyl) -8-(2-chlorophenyl)- 9H-purin-6-yl -4-ethylaminopiperidine-4-carboxylic acid amide hydrochloride (CP-945,598), a novel, potent, and selective cannabinoid type 1 receptor antagonist. JMedChem. 2009 ;5

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