Otenabant HCl
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MedKoo CAT#: 502501

CAS#: 686347-12-6 (HCl)

Description: Otenabant, also known as CP-945,598, is a drug which acts as a potent and highly selective CB1 antagonist. It was developed by Pfizer for the treatment of obesity, but development for this application has been discontinued following the problems seen during clinical use of the similar drug rimonabant. (source: http://en.wikipedia.org/wiki/Otenabant).


Chemical Structure

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Otenabant HCl
CAS# 686347-12-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 502501
Name: Otenabant HCl
CAS#: 686347-12-6 (HCl)
Chemical Formula: C25H26Cl3N7O
Exact Mass:
Molecular Weight: 546.881
Elemental Analysis: C, 54.91; H, 4.79; Cl, 19.45; N, 17.93; O, 2.93

Size Price Shipping out time Quantity
10mg USD 90 Same Day
25mg USD 150 Same Day
50mg USD 250 Same Day
100mg USD 450 Same Day
200mg USD 750 Same Day
500mg USD 1450 Same Day
1g USD 2650 Same Day
2g USD 4250 2 Weeks
5g USD 5750 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-03-03. Prices are subject to change without notice.

Otenabant HCl, purity > 98%, is in stock. The same day shipping out after order is received.

Related CAS #: 686347-12-6 (HCl)   686344-29-6 (free base)  

Synonym: CP945598; CP-945598; CP 945598; CP945,598; CP-945,598; CP 945,598; Otenabant HCl

IUPAC/Chemical Name: 1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide hydrochloride

InChi Key: KPYUQCJBZGQHPL-UHFFFAOYSA-N

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

SMILES Code: O=C(C1(NCC)CCN(C2=C3N=C(C4=CC=CC=C4Cl)N(C5=CC=C(Cl)C=C5)C3=NC=N2)CC1)N.[H]Cl

Appearance:
white solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>5 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 546.881 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Miao Z, Sun H, Liras J, Prakash C. 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. Drug Metab Dispos. 2012 Mar;40(3):568-78. doi: 10.1124/dmd.111.043273. Epub 2011 Dec 20. PubMed PMID: 22187487.

2: Miao Z, Scott DO, Griffith DA, Day R, Prakash C. Excretion, metabolism, and pharmacokinetics of CP-945,598, a selective cannabinoid receptor antagonist, in rats, mice, and dogs. Drug Metab Dispos. 2011 Dec;39(12):2191-208. doi: 10.1124/dmd.111.040360. Epub 2011 Aug 29. PubMed PMID: 21875952.

3: Aronne LJ, Finer N, Hollander PA, England RD, Klioze SS, Chew RD, Fountaine RJ, Powell CM, Obourn JD. Efficacy and safety of CP-945,598, a selective cannabinoid CB1 receptor antagonist, on weight loss and maintenance. Obesity (Silver Spring). 2011 Jul;19(7):1404-14. doi: 10.1038/oby.2010.352. Epub 2011 Feb 3. PubMed PMID: 21293451.

4: Hadcock JR, Griffith DA, Iredale PA, Carpino PA, Dow RL, Black SC, O'Connor R, Gautreau D, Lizano JS, Ward K, Hargrove DM, Kelly-Sullivan D, Scott DO. In vitro and in vivo pharmacology of CP-945,598, a potent and selective cannabinoid CB(1) receptor antagonist for the management of obesity. Biochem Biophys Res Commun. 2010 Apr 2;394(2):366-71. doi: 10.1016/j.bbrc.2010.03.015. Epub 2010 Mar 6. PubMed PMID: 20211605.

5: Griffith DA, Hadcock JR, Black SC, Iredale PA, Carpino PA, DaSilva-Jardine P, Day R, DiBrino J, Dow RL, Landis MS, O'Connor RE, Scott DO. 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. J Med Chem. 2009 Jan 22;52(2):234-7. doi: 10.1021/jm8012932. PubMed PMID: 19102698.

6: Woods SC. The endocannabinoid system: novel pathway for cardiometabolic Risk-factor reduction. JAAPA. 2007 Nov;Suppl Endocannabinoid:7-10. Review. PubMed PMID: 18047036.



Additional Information

  Related CAS#
Otenabant HCl = CAS#686347-12-6 (HCl).
Otenabant free base = CAS#686344-29-6 (free base).