| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
NOP receptor ( Ki = 0.105 nM ); NOP receptor ( Kb = 0.166 nM )
LY-2940094 targets the nociceptin receptor (NOP) (also known as the opioid receptor-like 1 receptor, ORL1). It is a potent antagonist with high binding affinity (Ki = 0.105 nM) and functional antagonism (Kb = 0.166 nM). The compound is selective for NOP and is brain-penetrant. |
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| ln Vitro |
In vitro, LY-2940094 acts as a potent and selective NOP receptor antagonist. It displaces nociceptin binding with high affinity (Ki = 0.105 nM). Functional antagonism is demonstrated with a Kb of 0.166 nM. The compound shows selectivity for NOP over other opioid receptors. Detailed in vitro cellular assay data is limited in publicly available sources.
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| ln Vivo |
LY2940094 (orally administered for four days at 3, 10, or 30 mg/kg) decreases the ethanol self in the home cage in a dose-dependent manner in rats that prefer alcohol, both Malchigian Sardinian (msP) and Indiana (P) types. administration without changing the amount of food, water, or exercise that is done[1].
In vivo, LY-2940094 has been evaluated in animal models of depression and alcohol use disorder. Oral administration for four days at 3, 10, or 30 mg/kg has shown efficacy in various models. The compound is brain-penetrant and orally bioavailable. It has been studied in Malchigian Sardinian (msP) and Indiana (P) rat models of alcohol consumption. |
| Enzyme Assay |
Non-cellular receptor binding assays for LY-2940094 involve radioligand displacement using membrane preparations expressing the human NOP receptor. Membranes are incubated with a radiolabeled NOP ligand and varying concentrations of the test compound. Bound radioactivity is measured by filtration and scintillation counting. Ki values are calculated from competition binding curves.
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| Cell Assay |
In vitro cellular assays include functional antagonism studies using cells expressing the NOP receptor. Cells are pre-incubated with LY-2940094 and then stimulated with the NOP agonist nociceptin. Downstream signaling (e.g., cAMP inhibition, ERK phosphorylation) is measured. Antagonist potency (Kb) is calculated from the rightward shift of the agonist dose-response curve.
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| Animal Protocol |
Female Alcohol-Preferring (P) rats (250-320 g); Male Marchigian Sardinian Alcohol-Preferring (msP) rats (400-450 g)
3, 10, or 30 mg/kg; 2-3 mL/kg Administered orally; daily; 4 days In vivo animal studies include models of depression and alcohol dependence. Rats are treated with LY-2940094 via oral administration at doses of 3, 10, or 30 mg/kg for four days. Behavioral assays assess depressive-like behaviors and alcohol consumption. The compound's efficacy is compared to vehicle-treated controls. Brain penetration is confirmed by measuring compound levels in brain tissue. |
| ADME/Pharmacokinetics |
LY-2940094 is orally administered and brain-penetrant. It has high binding affinity (Ki = 0.105 nM) and functional antagonism (Kb = 0.166 nM) at the NOP receptor. The compound is absorbed from the gastrointestinal tract and distributed to the brain. PK parameters are consistent with once-daily oral dosing.
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| Toxicity/Toxicokinetics |
Toxicological data for LY-2940094 is limited in publicly available sources. As a potent NOP antagonist being developed for psychiatric indications, standard preclinical toxicology studies would be required. The compound is for research purposes only and should be handled with appropriate safety precautions.
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| References | |
| Additional Infomation |
LY-2940094 (BTRX-246040) is a potent, selective, brain-penetrant, orally bioavailable NOP receptor antagonist. It is being developed for the treatment of major depressive disorder and alcoholism. The compound has high affinity for NOP (Ki = 0.105 nM). This product is for research purposes only and not for human therapeutic use.
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| Molecular Formula |
C26H29CLF2N4O8S
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|---|---|
| Molecular Weight |
631.0448
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| Exact Mass |
630.136
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| Elemental Analysis |
C, 49.49; H, 4.63; Cl, 5.62; F, 6.02; N, 8.88; O, 20.28; S, 5.08
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| CAS # |
1307245-87-9
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| Related CAS # |
LY2940094; 1307245-86-8
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| PubChem CID |
138991570
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
42
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| Complexity |
806
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| Defined Atom Stereocenter Count |
2
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| SMILES |
ClC1=CC2C(COC3(C=2S1)CCN(CC1=CN(C2C(=CC=CN=2)CO)N=C1C)CC3)(F)F.O[C@@H](C(=O)O)[C@H](C(=O)O)O
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| InChi Key |
CQKWYQOOVWQULQ-LREBCSMRSA-N
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| InChi Code |
InChI=1S/C22H23ClF2N4O2S.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| Chemical Name |
[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methanol;(2R,3R)-2,3-dihydroxybutanedioic acid
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| Synonyms |
LY-2940094; LY2940094; LY 2940094
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5847 mL | 7.9234 mL | 15.8469 mL | |
| 5 mM | 0.3169 mL | 1.5847 mL | 3.1694 mL | |
| 10 mM | 0.1585 mL | 0.7923 mL | 1.5847 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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