Otenabant free base | CAS#686344-29-6 | CB1 antagonist

MedKoo Cat#: 525805 | Name: Otenabant free base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Otenabant Hydrochloride is the salt of Otenabant, also known as CP-945,598, 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.

Chemical Structure

Otenabant free base

CAS#686344-29-6 (free base)

Theoretical Analysis

MedKoo Cat#: 525805

Name: Otenabant free base

CAS#: 686344-29-6 (free base)

Chemical Formula: C25H25Cl2N7O

Exact Mass: 509.1498

Molecular Weight: 510.42

Elemental Analysis: C, 58.83; H, 4.94; Cl, 13.89; N, 19.21; O, 3.13

Price and Availability

Size	Price	Availability	Quantity
50mg	USD 550.00	2 Weeks
100mg	USD 950.00	2 Weeks

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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

IUPAC/Chemical Name

1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide

InChi Key

UNAZAADNBYXMIV-UHFFFAOYSA-N

InChi Code

InChI=1S/C25H25Cl2N7O/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)

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

Appearance

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

Shelf Life

>2 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

More Info

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Otenabant is a potent and selective cannabinoid receptor CB1 antagonist with Ki of 0.7 nM.

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	100.0	195.92

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 510.42 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.

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

Formulation protocol:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

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.