LY2940094 | CAS# 1307245-86-8 | Nociceptin Receptor Antagonist

MedKoo Cat#: 564766 | Name: LY2940094

Description:

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

LY2940094, also known as BTRX-246040, is a potent and selective nociceptin receptor antagonist which inhibits excessive feeding behavior in rodents.

Chemical Structure

LY2940094

CAS#1307245-86-8 (free base)

Theoretical Analysis

MedKoo Cat#: 564766

Name: LY2940094

CAS#: 1307245-86-8 (free base)

Chemical Formula: C22H23ClF2N4O2S

Exact Mass: 480.1198

Molecular Weight: 480.96

Elemental Analysis: C, 54.94; H, 4.82; Cl, 7.37; F, 7.90; N, 11.65; O, 6.65; S, 6.67

Price and Availability

Size	Price	Availability
100mg	USD 650.00	2 Weeks
200mg	USD 1,050.00	2 Weeks
500mg	USD 1,950.00	2 Weeks
1g	USD 2,950.00	2 Weeks
2g	USD 5,650.00	2 Weeks

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Related CAS #

1307245-86-8 (free base) 1307245-87-9 (tartrate)

Synonym

LY-2940094; LY 2940094; LY2940094; BTRX 246040; BTRX246040; BTRX-246040;

IUPAC/Chemical Name

(2-(4-((2'-chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl)methyl)-3-methyl-1H-pyrazol-1-yl)pyridin-3-yl)methanol

InChi Key

NKQHBJNRBKHUQR-UHFFFAOYSA-N

InChi Code

InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3

SMILES Code

OCC1=CC=CN=C1N2N=C(C)C(CN3CCC4(OCC(F)(F)C5=C4SC(Cl)=C5)CC3)=C2

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

>3 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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

LY2940094 (BTRX-246040) is a potent, selective and orally available nociceptin receptor (NOP receptor) antagonist with high affinity (Ki=0.105 nM) and antagonist potency (Kb=0.166 nM).

In vitro activity:

BTRX-246040 was systematically compared with the standard NOP antagonist SB-612111. In all assays, BTRX-246040 behaves as a pure and selective antagonist at human recombinant and murine native NOP receptors displaying 3-10-fold higher potency than the standard antagonist SB-612111. Reference: J Pharmacol Exp Ther. 2020 Apr;373(1):34-43. https://pubmed.ncbi.nlm.nih.gov/31937563/

In vivo activity:

LY2940094 dose dependently reduced homecage ethanol self-administration in Indiana alcohol-preferring (P) and Marchigian Sardinian alcohol-preferring (msP) rats, without affecting food/water intake or locomotor activity. LY2940094 attenuated progressive ratio operant responding and break points for ethanol in P rats. Moreover, stress-induced reinstatement of ethanol seeking in msP rats was completely blocked by LY2940094. Furthermore, LY2940094 blocked ethanol-stimulated dopamine release in response to ethanol challenge (1.1 g/kg, intraperitoneally). Reference: Alcohol Clin Exp Res. 2016 May;40(5):945-54. https://pubmed.ncbi.nlm.nih.gov/27084498/

	Solvent	mg/mL	mM
Solubility
	DMSO	41.7	86.64

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 480.96 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:

1. Ferrari F, Rizzo S, Ruzza C, Calo G. Detailed In Vitro Pharmacological Characterization of the Clinically Viable Nociceptin/Orphanin FQ Peptide Receptor Antagonist BTRX-246040. J Pharmacol Exp Ther. 2020 Apr;373(1):34-43. doi: 10.1124/jpet.119.262865. Epub 2020 Jan 14. PMID: 31937563. 2. D'Oliveira da Silva F, Azevedo Neto J, Sturaro C, Guarino A, Robert C, Gavioli EC, Calo G, Mouledous L, Ruzza C. The NOP antagonist BTRX-246040 increases stress resilience in mice without affecting adult neurogenesis in the hippocampus. Neuropharmacology. 2022 Jul 1;212:109077. doi: 10.1016/j.neuropharm.2022.109077. Epub 2022 May 2. PMID: 35513173. 3. Rorick-Kehn LM, Ciccocioppo R, Wong CJ, Witkin JM, Martinez-Grau MA, Stopponi S, Adams BL, Katner JS, Perry KW, Toledo MA, Diaz N, Lafuente C, Jiménez A, Benito A, Pedregal C, Weiss F, Statnick MA. A Novel, Orally Bioavailable Nociceptin Receptor Antagonist, LY2940094, Reduces Ethanol Self-Administration and Ethanol Seeking in Animal Models. Alcohol Clin Exp Res. 2016 May;40(5):945-54. doi: 10.1111/acer.13052. Epub 2016 Apr 16. PMID: 27084498; PMCID: PMC4844902.

In vitro protocol:

In vivo protocol:

1. D'Oliveira da Silva F, Azevedo Neto J, Sturaro C, Guarino A, Robert C, Gavioli EC, Calo G, Mouledous L, Ruzza C. The NOP antagonist BTRX-246040 increases stress resilience in mice without affecting adult neurogenesis in the hippocampus. Neuropharmacology. 2022 Jul 1;212:109077. doi: 10.1016/j.neuropharm.2022.109077. Epub 2022 May 2. PMID: 35513173. 2. Rorick-Kehn LM, Ciccocioppo R, Wong CJ, Witkin JM, Martinez-Grau MA, Stopponi S, Adams BL, Katner JS, Perry KW, Toledo MA, Diaz N, Lafuente C, Jiménez A, Benito A, Pedregal C, Weiss F, Statnick MA. A Novel, Orally Bioavailable Nociceptin Receptor Antagonist, LY2940094, Reduces Ethanol Self-Administration and Ethanol Seeking in Animal Models. Alcohol Clin Exp Res. 2016 May;40(5):945-54. doi: 10.1111/acer.13052. Epub 2016 Apr 16. PMID: 27084498; PMCID: PMC4844902.

1: Della Longa S, Arcovito A. "In silico" study of the binding of two novel antagonists to the nociceptin receptor. J Comput Aided Mol Des. 2018 Feb;32(2):385-400. doi: 10.1007/s10822-017-0095-5. Epub 2018 Jan 16. PubMed PMID: 29340866. 2: Witkin JM, Rorick-Kehn LM, Benvenga MJ, Adams BL, Gleason SD, Knitowski KM, Li X, Chaney S, Falcone JF, Smith JW, Foss J, Lloyd K, Catlow JT, McKinzie DL, Svensson KA, Barth VN, Toledo MA, Diaz N, Lafuente C, Jiménez A, Benito A, Pedregal C, Martínez-Grau MA, Post A, Ansonoff MA, Pintar JE, Statnick MA. Preclinical findings predicting efficacy and side-effect profile of LY2940094, an antagonist of nociceptin receptors. Pharmacol Res Perspect. 2016 Nov 7;4(6):e00275. doi: 10.1002/prp2.275. eCollection 2016 Dec. PubMed PMID: 28097008; PubMed Central PMCID: PMC5226289. 3: Post A, Smart TS, Jackson K, Mann J, Mohs R, Rorick-Kehn L, Statnick M, Anton R, O'Malley SS, Wong CJ. Proof-of-Concept Study to Assess the Nociceptin Receptor Antagonist LY2940094 as a New Treatment for Alcohol Dependence. Alcohol Clin Exp Res. 2016 Sep;40(9):1935-44. doi: 10.1111/acer.13147. Epub 2016 Jul 20. PubMed PMID: 27435979. 4: Raddad E, Chappell A, Meyer J, Wilson A, Ruegg CE, Tauscher J, Statnick MA, Barth V, Zhang X, Verfaille SJ. Occupancy of Nociceptin/Orphanin FQ Peptide Receptors by the Antagonist LY2940094 in Rats and Healthy Human Subjects. Drug Metab Dispos. 2016 Sep;44(9):1536-42. doi: 10.1124/dmd.116.070359. Epub 2016 Jun 27. PubMed PMID: 27353045. 5: Rorick-Kehn LM, Ciccocioppo R, Wong CJ, Witkin JM, Martinez-Grau MA, Stopponi S, Adams BL, Katner JS, Perry KW, Toledo MA, Diaz N, Lafuente C, Jiménez A, Benito A, Pedregal C, Weiss F, Statnick MA. A Novel, Orally Bioavailable Nociceptin Receptor Antagonist, LY2940094, Reduces Ethanol Self-Administration and Ethanol Seeking in Animal Models. Alcohol Clin Exp Res. 2016 May;40(5):945-54. doi: 10.1111/acer.13052. Epub 2016 Apr 16. PubMed PMID: 27084498; PubMed Central PMCID: PMC4844902. 6: Statnick MA, Chen Y, Ansonoff M, Witkin JM, Rorick-Kehn L, Suter TM, Song M, Hu C, Lafuente C, Jiménez A, Benito A, Diaz N, Martínez-Grau MA, Toledo MA, Pintar JE. A Novel Nociceptin Receptor Antagonist LY2940094 Inhibits Excessive Feeding Behavior in Rodents: A Possible Mechanism for the Treatment of Binge Eating Disorder. J Pharmacol Exp Ther. 2016 Feb;356(2):493-502. doi: 10.1124/jpet.115.228221. Epub 2015 Dec 9. PubMed PMID: 26659925. 7: Post A, Smart TS, Krikke-Workel J, Dawson GR, Harmer CJ, Browning M, Jackson K, Kakar R, Mohs R, Statnick M, Wafford K, McCarthy A, Barth V, Witkin JM. A Selective Nociceptin Receptor Antagonist to Treat Depression: Evidence from Preclinical and Clinical Studies. Neuropsychopharmacology. 2016 Jun;41(7):1803-12. doi: 10.1038/npp.2015.348. Epub 2015 Nov 20. PubMed PMID: 26585287; PubMed Central PMCID: PMC4869049.