LY-2795050 | LY2795050 | CAS#1346133-08-1 | KOR antagonist

MedKoo Cat#: 526739 | Name: LY2795050 HCl

Description:

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

LY2795050 is a novel selective KOR antagonist.

Chemical Structure

LY2795050 HCl

CAS#1346133-08-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 526739

Name: LY2795050 HCl

CAS#: 1346133-08-1 (HCl)

Chemical Formula: C23H23Cl2N3O2

Exact Mass: 0.0000

Molecular Weight: 444.36

Elemental Analysis: C, 62.17; H, 5.22; Cl, 15.96; N, 9.46; O, 7.20

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

1346133-08-1 (free base) 1346133-08-1 (HCl)

Synonym

LY-2795050; LY 2795050; LY2795050; LY2795050 HCl; LY2795050 Hydrochloride

IUPAC/Chemical Name

(S)-3-chloro-4-(4-((2-(pyridin-3-yl)pyrrolidin-1-yl)methyl)phenoxy)benzamide hydrochloride

InChi Key

BYXMZVWSMVBNRQ-BOXHHOBZSA-N

InChi Code

InChI=1S/C23H22ClN3O2.ClH/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18;/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28);1H/t21-;/m0./s1

SMILES Code

O=C(N)C1=CC=C(OC2=CC=C(CN3[C@H](C4=CC=CN=C4)CCC3)C=C2)C(Cl)=C1.[H]Cl

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 444.36 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

1: Naganawa M, Dickinson GL, Zheng MQ, Henry S, Vandenhende F, Witcher J, Bell R, Nabulsi N, Lin SF, Ropchan J, Neumeister A, Ranganathan M, Tauscher J, Huang Y, Carson RE. Receptor Occupancy of the κ-Opioid Antagonist LY2456302 Measured with Positron Emission Tomography and the Novel Radiotracer 11C-LY2795050. J Pharmacol Exp Ther. 2016 Feb;356(2):260-6. doi: 10.1124/jpet.115.229278. Epub 2015 Dec 1. PubMed PMID: 26628406; PubMed Central PMCID: PMC4727157. 2: Naganawa M, Zheng MQ, Henry S, Nabulsi N, Lin SF, Ropchan J, Labaree D, Najafzadeh S, Kapinos M, Tauscher J, Neumeister A, Carson RE, Huang Y. Test-retest reproducibility of binding parameters in humans with 11C-LY2795050, an antagonist PET radiotracer for the κ opioid receptor. J Nucl Med. 2015 Feb;56(2):243-8. doi: 10.2967/jnumed.114.147975. Epub 2015 Jan 15. PubMed PMID: 25593119; PubMed Central PMCID: PMC4322754. 3: Pietrzak RH, Naganawa M, Huang Y, Corsi-Travali S, Zheng MQ, Stein MB, Henry S, Lim K, Ropchan J, Lin SF, Carson RE, Neumeister A. Association of in vivo κ-opioid receptor availability and the transdiagnostic dimensional expression of trauma-related psychopathology. JAMA Psychiatry. 2014 Nov;71(11):1262-70. doi: 10.1001/jamapsychiatry.2014.1221. Erratum in: JAMA Psychiatry. 2014 Nov;71(11):1301. PubMed PMID: 25229257. 4: Naganawa M, Zheng MQ, Nabulsi N, Tomasi G, Henry S, Lin SF, Ropchan J, Labaree D, Tauscher J, Neumeister A, Carson RE, Huang Y. Kinetic modeling of (11)C-LY2795050, a novel antagonist radiotracer for PET imaging of the kappa opioid receptor in humans. J Cereb Blood Flow Metab. 2014 Nov;34(11):1818-25. doi: 10.1038/jcbfm.2014.150. Epub 2014 Sep 3. PubMed PMID: 25182664; PubMed Central PMCID: PMC4269759. 5: Kim SJ, Zheng MQ, Nabulsi N, Labaree D, Ropchan J, Najafzadeh S, Carson RE, Huang Y, Morris ED. Determination of the in vivo selectivity of a new κ-opioid receptor antagonist PET tracer 11C-LY2795050 in the rhesus monkey. J Nucl Med. 2013 Sep;54(9):1668-74. doi: 10.2967/jnumed.112.118877. Epub 2013 Aug 5. PubMed PMID: 23918735. 6: Leung K. [Carbonyl-(11)C](S)-3-chloro-4-(4-((2-(pyridine-3-yl)pyrrolidin-1-yl)methyl)pheno xy)benzamide. 2013 Mar 21 [updated 2013 May 23]. Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004-2013. Available from http://www.ncbi.nlm.nih.gov/books/NBK138311/ PubMed PMID: 23700645. 7: Zheng MQ, Nabulsi N, Kim SJ, Tomasi G, Lin SF, Mitch C, Quimby S, Barth V, Rash K, Masters J, Navarro A, Seest E, Morris ED, Carson RE, Huang Y. Synthesis and evaluation of 11C-LY2795050 as a κ-opioid receptor antagonist radiotracer for PET imaging. J Nucl Med. 2013 Mar;54(3):455-63. doi: 10.2967/jnumed.112.109512. Epub 2013 Jan 25. PubMed PMID: 23353688; PubMed Central PMCID: PMC3775344. 8: Mitch CH, Quimby SJ, Diaz N, Pedregal C, de la Torre MG, Jimenez A, Shi Q, Canada EJ, Kahl SD, Statnick MA, McKinzie DL, Benesh DR, Rash KS, Barth VN. Discovery of aminobenzyloxyarylamides as κ opioid receptor selective antagonists: application to preclinical development of a κ opioid receptor antagonist receptor occupancy tracer. J Med Chem. 2011 Dec 8;54(23):8000-12. doi: 10.1021/jm200789r. Epub 2011 Oct 26. PubMed PMID: 21958337.