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| Targets |
The primary target of T62 is the adenosine A1 receptor, a G protein-coupled receptor that mediates the effects of adenosine in the central nervous system and peripheral tissues. It acts as an allosteric enhancer, binding to a site distinct from the orthosteric binding site and enhancing the affinity and/or efficacy of endogenous adenosine. This potentiates the receptor's activity, leading to enhanced antinociceptive effects.
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| ln Vitro |
In vitro, T62 is an allosteric enhancer of the adenosine A1 receptor. Its activity is characterized by its ability to enhance the binding of adenosine to the A1 receptor and to potentiate adenosine-induced signaling. The compound's potency and efficacy are determined in radioligand binding and functional assays.
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| ln Vivo |
Male Sprague Dawley rats treated intrathecally with the adenosine A1 receptor activator T62 (0.3–3 μg) exhibit dose-dependent antiallergic effects but no influence on locomotion or activity levels [1].
In vivo, T62 produces antinociception in animal models of acute pain and reduces hypersensitivity in models of inflammatory and nerve-injury pain. Its effects are mediated through the allosteric enhancement of adenosine A1 receptor activity. The compound has shown efficacy in preclinical models of pain, making it a promising candidate for the development of new analgesics. |
| Enzyme Assay |
In vitro receptor binding studies for T62 measure its allosteric enhancement of adenosine A1 receptor binding. Radioligand binding assays are performed using membrane preparations from cells expressing the A1 receptor. The compound is tested for its ability to enhance the binding of a labeled adenosine agonist, such as [³H]CPA. The EC₅₀ for enhancement is determined.
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| Cell Assay |
In vitro cell-based functional assays for T62 evaluate its allosteric enhancement of A1 receptor signaling. Cells expressing the A1 receptor are treated with an adenosine agonist in the presence or absence of T62. Receptor activation is measured by downstream signaling, such as inhibition of cAMP accumulation. The compound's ability to potentiate the agonist-induced response is measured.
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| Animal Protocol |
Animal/Disease Models: Male SpragueDawley rat (250 g), after paw incision surgery [1]
Doses: 0.3 μg, 0.5 μg, 1 μg and 3 μg Route of Administration: Intrathecal administration Experimental Results: Dose-dependent antiallergic effect , no impact on walking or activity level. ED40 (95% confidence interval) is 0.77 (0.63-0.91) μg. In vivo animal studies for T62 are conducted in models of acute and chronic pain. The compound is administered via intraperitoneal or oral routes. Its antinociceptive effects are assessed using behavioral tests, such as the tail-flick test or the von Frey test. Efficacy is evaluated in models of inflammatory and neuropathic pain. Pharmacokinetic studies determine the compound's half-life and bioavailability. |
| ADME/Pharmacokinetics |
The pharmacokinetic properties of T62 have been characterized in preclinical studies. Its molecular weight is 291.80 g/mol. For research use, it is typically stored as a powder at -20°C. Further details on its half-life, Cmax, and bioavailability are available from the primary research literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of T62 has not been extensively detailed in the available literature. It is classified for research use only and not for human consumption. As an allosteric enhancer, its potential side effects may include cardiovascular and central nervous system effects. Standard safety precautions for handling bioactive compounds should be followed.
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| References |
[1]. Obata H, et al. Spinal adenosine receptor activation reduces hypersensitivity after surgery by a different mechanism than after nerve injury. Anesthesiology. 2004 May;100(5):1258-62.
[2]. Li X, et al. Allosteric adenosine receptor modulation reduces hypersensitivity following peripheral inflammation by a central mechanism. J Pharmacol Exp Ther. 2003 Jun;305(3):950-5. [3]. Soudijn W, et al. Allosteric modulation of G protein-coupled receptors: perspectives and recent developments. Drug Discov Today. 2004 Sep 1;9(17):752-8. |
| Additional Infomation |
T-62 has been used in trials investigating the treatment of postherpetic neuralgia.
Additional information: T62 is also known as Adenosine A1 receptor activator T62. It is an allosteric enhancer of the adenosine A1 receptor. The compound produces antinociception in animal models of acute, inflammatory, and neuropathic pain. This product is for research use only and is not approved for clinical or therapeutic applications. |
| Molecular Formula |
C15H14CLNOS
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|---|---|
| Molecular Weight |
291.79
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| Exact Mass |
291.048
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| CAS # |
40312-34-3
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| PubChem CID |
855908
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.337g/cm3
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| Boiling Point |
527ºC at 760 mmHg
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| Flash Point |
272.5ºC
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| Index of Refraction |
1.658
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| LogP |
4.674
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
343
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC2=C(C1)C(=C(N)S2)C(=O)C3=CC=C(C=C3)Cl
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| InChi Key |
OTZVBZFYMFTYKH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2
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| Chemical Name |
(2-Amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(4-chlorophenyl)methanone
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| Synonyms |
T-62 T 62 T62
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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 | 3.4271 mL | 17.1356 mL | 34.2712 mL | |
| 5 mM | 0.6854 mL | 3.4271 mL | 6.8542 mL | |
| 10 mM | 0.3427 mL | 1.7136 mL | 3.4271 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00809679 | Terminated | Drug: T-62 Dose 1 Drug: T-62 Dose 2 |
Postherpetic Neuralgia | Pfizer | December 2008 | Phase 2 |
| NCT04314492 | Recruiting | Procedure: Tonsillectomy | Tonsillar Hypertrophy Sleep Apnea, Obstructive |
Turku University Hospital | September 1, 2020 | Not Applicable |
| NCT00207688 | Completed | Drug: Infliximab 5 mg/kg Drug: Infliximab 10 mg/kg |
Ulcerative Colitis | Janssen Research & Development, LLC | August 31, 2004 |
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