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464213-10-3,MFCD07370146
Catalog No.:AA00DA6T

464213-10-3 | Ibipinabant

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Purity
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1mg
≥98%
in stock  
$116.00   $81.00
- +
5mg
≥98%
in stock  
$453.00   $317.00
- +
10mg
≥98%
in stock  
$679.00   $475.00
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25mg
100%
in stock  
$1,531.00   $1,072.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DA6T
Chemical Name:
Ibipinabant
CAS Number:
464213-10-3
Molecular Formula:
C23H20Cl2N4O2S
Molecular Weight:
487.4015
MDL Number:
MFCD07370146
SMILES:
C/N=C(/N1N=C([C@H](C1)c1ccccc1)c1ccc(cc1)Cl)\NS(=O)(=O)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
791  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
5.3  

Literature

Title: Cannabinoid receptor antagonist-induced striated muscle toxicity and ethylmalonic-adipic aciduria in beagle dogs.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20121001

Title: JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities.

Journal: Bioorganic & medicinal chemistry letters 20121001

Title: Ibipinabant attenuates β-cell loss in male Zucker diabetic fatty rats independently of its effects on body weight.

Journal: Diabetes, obesity & metabolism 20120601

Title: Surface energy analysis as a tool to probe the surface energy characteristics of micronized materials--a comparison with inverse gas chromatography.

Journal: International journal of pharmaceutics 20120117

Title: Physical stability and recrystallization kinetics of amorphous ibipinabant drug product by fourier transform raman spectroscopy.

Journal: Journal of pharmaceutical sciences 20111101

Title: Synthesis, SAR and intramolecular hydrogen bonding pattern of 1,3,5-trisubstituted 4,5-dihydropyrazoles as potent cannabinoid CB(1) receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20100301

Title: Discovery and functional evaluation of diverse novel human CB(1) receptor ligands.

Journal: Bioorganic & medicinal chemistry letters 20090801

Title: Synthesis and evaluation of dibenzothiazepines: a novel class of selective cannabinoid-1 receptor inverse agonists.

Journal: Journal of medicinal chemistry 20090409

Title: Identification of novel cannabinoid CB1 receptor antagonists by using virtual screening with a pharmacophore model.

Journal: Journal of medicinal chemistry 20080424

Title: Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity.

Journal: Journal of medicinal chemistry 20080410

Title: Bioisosteric replacement of dihydropyrazole of 4S-(-)-3-(4-chlorophenyl)-N-methyl-N'-[(4-chlorophenyl)-sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-caboxamidine (SLV-319) a potent CB1 receptor antagonist by imidazole and oxazole.

Journal: Bioorganic & medicinal chemistry letters 20080201

Title: Diaryl dihydropyrazole-3-carboxamides with significant in vivo antiobesity activity related to CB1 receptor antagonism: synthesis, biological evaluation, and molecular modeling in the homology model.

Journal: Journal of medicinal chemistry 20071129

Title: Discovery of N-[(1S,2S)-3-(4-Chlorophenyl)-2- (3-cyanophenyl)-1-methylpropyl]-2-methyl-2- {[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist for the treatment of obesity.

Journal: Journal of medicinal chemistry 20061228

Title: Novel 3,4-diarylpyrazolines as potent cannabinoid CB1 receptor antagonists with lower lipophilicity.

Journal: Bioorganic & medicinal chemistry letters 20051101

Title: Synthesis, biological properties, and molecular modeling investigations of novel 3,4-diarylpyrazolines as potent and selective CB(1) cannabinoid receptor antagonists.

Journal: Journal of medicinal chemistry 20040129

Title: Lange JHM, et, al. Synthesis, biological properties, and molecular modeling investigations of novel 3,4-diarylpyrazolines as potent and selective CB(1) cannabinoid receptor antagonists. J Med Chem. 2004 Jan 29;47(3):627-43.

Title: Tam J, et, al. Peripheral cannabinoid-1 receptor inverse agonism reduces obesity by reversing leptin resistance. Cell Metab. 2012 Aug 8;16(2):167-79.

Title: Rohrbach K, et, al. Ibipinabant attenuates β-cell loss in male Zucker diabetic fatty rats independently of its effects on body weight. Diabetes Obes Metab. 2012 Jun;14(6):555-64.

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