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Purity: ≥98%
Otenabant HCl (also known as CP-945,598; CP 945,598; CP-945598), the hydrochloride salt of Otenabant, is a novel, potent and highly selective cannabinoid receptor CB1 antagonist with potential anti-obesity effect. It exhibits >10,000-fold higher selectivity against CB2 receptor and inhibits CB1 with a Ki of 0.7 nM. Pfizer developed otenabant with the intention of treating obesity; however, the drug's development has been shelved because of issues with rimonabant, a comparable medication, during clinical trials.
| Targets |
hCB1 ( Ki = 0.7 nM ); rCB1 ( Ki = 2.8 nM )
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| Enzyme Assay |
Membranes are made from CHOK1 cells that have had the human CB-1 receptor cDNA transfected into them permanently. The GTPγ [35S] binding assays are carried out in duplicate in a 96-well FlashPlate format using 100 pM GTPγ [35S] and 10μg membrane per well in an assay buffer consisting of 50 mM Tris HCl, pH 7.4, 3 mM MgCl2, pH 7.4, 10 mM MgCl2, 20 mM EGTA, 100 mM NaCl, 30 µM GDP, 0.1% bovine serum albumin, and the protease inhibitors 100 μg/mL bacitracin, 100 μg/mL benzamidine, 5 μg/mL aprotinin, and 5 μg/mL leupeptin. After 10 minutes of incubation with escalating antagonist concentrations (10-10M to 10-5 M), the assay mix is challenged with the cannabinoid agonist CP-55,940 (10 μM). For one hour, assays are conducted at 30°C. The FlashPlates are subsequently centrifuged for 10 minutes at 2000 g. Next, utilizing a Wallac Microbeta, the stimulation of GTPγ [35S] binding is measured. GraphPad Prism is used to calculate EC50. The absence of an agonist is used to measure inverse agonism.
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| References |
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| Molecular Formula |
C25H26CL3N7O
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| Molecular Weight |
546.88
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| Exact Mass |
545.126
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| Elemental Analysis |
C, 54.91; H, 4.79; Cl, 19.45; N, 17.93; O, 2.93
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| CAS # |
686347-12-6
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| Related CAS # |
Otenabant; 686344-29-6
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| PubChem CID |
16223963
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| Appearance |
White solid powder
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| Melting Point |
275-276℃ (decomposition)
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| LogP |
6.181
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
36
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| Complexity |
729
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[H]Cl.ClC1=CC=CC=C1C2=NC3=C(N4CCC(NCC)(C(N)=O)CC4)N=CN=C3N2C5=CC=C(Cl)C=C5
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| InChi Key |
KPYUQCJBZGQHPL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H25Cl2N7O.ClH/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27;/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35);1H
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| Chemical Name |
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide;hydrochloride
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8286 mL | 9.1428 mL | 18.2855 mL | |
| 5 mM | 0.3657 mL | 1.8286 mL | 3.6571 mL | |
| 10 mM | 0.1829 mL | 0.9143 mL | 1.8286 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00645463 | Completed | Drug: CP-945,598 | Obesity | Pfizer | March 2007 | Phase 1 |
| NCT00644839 | Completed | Drug: CP-945,598 | Obesity | Pfizer | April 2008 | Phase 1 |
| NCT00645216 | Completed | Drug: CP-945,598 | Obesity | Pfizer | June 2007 | Phase 1 |
| NCT00134199 | Completed | Drug: CP-945,598 Drug: sibutramine |
Obesity | Pfizer | March 2005 | Phase 2 Phase 3 |
| NCT00706537 | Completed | Drug: Active treatment Drug: Placebo |
Non-Alcoholic Steatohepatitis (NASH) |
Pfizer | July 2008 | Phase 1 |
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