Odelepran

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

MedKoo CAT#: 319732

CAS#: 676501-25-0

Description: Odelepran, also known as LY2196044, is a opioid receptor antagonist under development for the treatment of alcohol dependence. Endogenous opioid-mediated reward pathways may play a role in the development and maintenance of alcohol dependence.


Chemical Structure

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Odelepran
CAS# 676501-25-0

Theoretical Analysis

MedKoo Cat#: 319732
Name: Odelepran
CAS#: 676501-25-0
Chemical Formula: C20H24FN3O3
Exact Mass: 373.1802
Molecular Weight: 373.4284
Elemental Analysis: C, 64.33; H, 6.48; F, 5.09; N, 11.25; O, 12.85

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Synonym: LY2196044; LY 2196044; LY-2196044; Odelepran

IUPAC/Chemical Name: 6-(2-fluoro-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)nicotinamide

InChi Key: QWNDOCKIKKQJNN-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H24FN3O3/c21-17-11-15(12-23-8-5-14-6-9-26-10-7-14)1-3-18(17)27-19-4-2-16(13-24-19)20(22)25/h1-4,11,13-14,23H,5-10,12H2,(H2,22,25)

SMILES Code: O=C(C1=CC=C(OC2=CC=C(CNCCC3CCOCC3)C=C2F)N=C1)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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 373.4284 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.

Recalculate based on batch purity %
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: Wong CJ, Witcher J, Mallinckrodt C, Dean RA, Anton RF, Chen Y, Fijal BA,
Ouyang H, Dharia S, Sundseth SS, Schuh KJ, Kinon BJ. A phase 2,
placebo-controlled study of the opioid receptor antagonist LY2196044 for the
treatment of alcohol dependence. Alcohol Clin Exp Res. 2014 Feb;38(2):511-20.
doi: 10.1111/acer.12257. Epub 2013 Sep 6. PubMed PMID: 24010675.

2: Ding X, He M, Kulkarni R, Patel N, Zhang X. Investigation of clinical
pharmacokinetic variability of an opioid antagonist through physiologically based
absorption modeling. J Pharm Sci. 2013 Aug;102(8):2859-74. doi:
10.1002/jps.23629. Epub 2013 Jun 11. PubMed PMID: 23761048.

3: Hillemacher T, Heberlein A, Muschler MA, Bleich S, Frieling H. Opioid
modulators for alcohol dependence. Expert Opin Investig Drugs. 2011
Aug;20(8):1073-86. doi: 10.1517/13543784.2011.592139. Epub 2011 Jun 9. Review.
PubMed PMID: 21651459.

Odelepran

10.0mg / Not available