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| 25mg |
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Purity: ≥98%
TCS-OX2-29 HCl, the hydrochloride salt of TCS-OX229, is a non-peptide and selective OX2 receptor antagonist (IC50 = 40 nM) with potential use in the treatment of insomnia.
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| Enzyme Assay |
Full assay details are provided in the Supporting Information. 24-hour-old CHO cells that were seeded at a density of 25,000 cells/well and were stably expressing the human orexin-2 receptor were used for cell-based inositol phosphate (Cisbio BioAssays, Codolet, France) and ERK1/2 phosphorylation (Surefire, PerkinElmer, Waltham, MA, USA) functional assays in 96-well plates
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| Cell Assay |
In Krebs assay buffer (8.5 mM HEPES, 1.3 mM CaCl2, 1.2 mM MgSO4, 118 mM NaCl, 4.7 mM KCl, 4 mM NaHCO3, 1.2 mM KH2PO4, 11 mM glucose, pH 7.4), cell membranes from HEK293 cells transiently expressing the human OX2 receptor (Supporting Information) were incubated with [3H]-EMPA in a total assay volume of 0.25 mL with a final DMSO concentration of 1%. Using a Tomtec cell harvester, the reaction was quickly stopped after 90 minutes of room temperature incubation by filtering through GF/B 96-well glass fiber plates with 5 × 0.25 mL washes with ddH2O. Utilizing Lablogic SafeScint for liquid scintillation, bound radioactivity was ascertained and detected using a microbeta liquid scintillation counter. The amount of non-specific binding was defined as that which persisted when the antagonist EMPA was present at a 10 μM saturating concentration. Membranes (2 μg protein/well) were incubated with a range of concentrations of [3H]-EMPA (0.4 nM–15 nM) in order to perform saturation studies. Using a Beckman LS 6000 liquid scintillation counter and SafeScint, radioligand concentrations were ascertained. In order to conduct competition binding, membranes (2 μg protein/well) were incubated with a range of concentrations of the test compound and 1.5 nM of [3H]-EMPA.
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| References |
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| Molecular Formula |
C23H32CLN3O3
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| Molecular Weight |
433.98
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| Exact Mass |
433.21
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| Elemental Analysis |
C, 63.66; H, 7.43; Cl, 8.17; N, 9.68; O, 11.06
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| CAS # |
1610882-30-8
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| Related CAS # |
TCS-OX2-29; 372523-75-6
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| Appearance |
Solid powder
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| SMILES |
CC(C)(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3.Cl
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| InChi Key |
NHKNHFJTMINMBP-ZMBIFBSDSA-N
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| InChi Code |
InChI=1S/C23H31N3O3.ClH/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26;/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3;1H/t21-;/m1./s1
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| Chemical Name |
(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one;hydrochloride
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| Synonyms |
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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 |
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| 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) |
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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 | 2.3043 mL | 11.5213 mL | 23.0425 mL | |
| 5 mM | 0.4609 mL | 2.3043 mL | 4.6085 mL | |
| 10 mM | 0.2304 mL | 1.1521 mL | 2.3043 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.
 Competition kinetics curves for [3H]-EMPA binding to OX2-expressing (HEK293) cell membranes in the presence of increasing concentrations of EMPA, TCS-OX2-29, suvorexant and almorexant.Br J Pharmacol.2014 Jan;171(2):351-63. |
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 Deming linear correlations between (A) kinetically derived pKDand pKIvalues derived from equilibrium competition binding.Br J Pharmacol.2014 Jan;171(2):351-63. |
 Comparison of depression of the orexin-A maximal response in (A) ERK1/2 phosphorylation and (B) inositol phosphate accumulation assays as a function of antagonist concentration.Br J Pharmacol.2014 Jan;171(2):351-63. |
 Effect of increasing concentrations of (A) EMPA, (B) TCS-OX-29, (C) suvorexant and (D) almorexant on orexin-A stimulated ERK1/2 phosphorylation in CHO-hOX2cells.Br J Pharmacol.2014 Jan;171(2):351-63. |
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 Effect of increasing concentrations of (A) EMPA, (B) TCS-OX-29, (C) suvorexant and (D) almorexant on orexin-A stimulated inositol phosphate accumulation in CHO-hOX2cells.Br J Pharmacol.2014 Jan;171(2):351-63. |
 Competition for [3H]–EMPA binding to OX2-expressing HEK293 cell membranes showing the displacement of increasing concentrations by test compounds.
Kinetic binding profile of [3H]–EMPA binding to OX2-expressing HEK293 cell membranes.Br J Pharmacol.2014 Jan;171(2):351-63. |
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