| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
GPR139.
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|---|---|
| ln Vitro |
Zelatriazin is a potent and selective GPR139 agonist with an EC50 of 22 nM. It activates GPR139, a G protein-coupled receptor expressed in the CNS. The compound has a purity of 99.88% and a molecular weight of 392.33.
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| ln Vivo |
In BALB/c mice, zelatriazin (0.03-3 mg/kg; po) enhances social behavior[1].
In vivo, Zelatriazin has been studied in clinical trials for the treatment of negative symptoms associated with schizophrenia. It has advanced to Phase 2 clinical trials. As a GPR139 agonist, it modulates glutamatergic neurotransmission and may improve cognitive and negative symptoms in schizophrenia. |
| Enzyme Assay |
In vitro receptor binding assays for Zelatriazin are performed to evaluate its affinity for GPR139. Radioligand binding studies using membrane preparations from cells expressing GPR139 are conducted. The compound's ability to activate GPR139 is measured in functional assays, such as measuring calcium mobilization or cAMP accumulation, to determine its EC50 (22 nM).
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| Cell Assay |
In vitro cell-based assays are conducted using cells expressing recombinant GPR139. The cells are treated with Zelatriazin, and receptor activation is measured by assessing downstream signaling events such as calcium mobilization or inhibition of cAMP accumulation. The EC50 for the agonistic effect is determined from the concentration-response curves.
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| Animal Protocol |
Animal/Disease Models: BALB/c mice[1]
Doses: 0.03, 0.3, and 3 mg/kg Route of Administration: Po Experimental Results: Dose-dependently improved the social behavior of BALB/c mice. In vivo studies are conducted in animal models and clinical trials to evaluate the effects of Zelatriazin on negative symptoms in schizophrenia. The compound is typically administered orally. Its effects on cognitive function, negative symptoms, and safety are assessed in patients with schizophrenia. |
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data are publicly available for Zelatriazin. As a small molecule with CNS activity, its ADME properties would be characterized in standard preclinical and clinical studies. The compound is orally bioavailable and has been evaluated in Phase 2 clinical trials.
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| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available for Zelatriazin. As a GPR139 agonist, its toxicity profile would be expected to be related to its mechanism of action. Standard safety assessments have been conducted in clinical trials.
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| References | |
| Additional Infomation |
Tak-041 is a small molecule drug. The monoisotope molecular weight of zelatrizine is 392.11 Da.
Zelatriazin (TAK-041; NBI-1065846) is a potent and selective GPR139 agonist with an EC50 of 22 nM. It is being developed for the treatment of negative symptoms associated with schizophrenia and has advanced to Phase 2 clinical trials. The compound is not approved for human therapeutic use and is strictly for research purposes. |
| Molecular Formula |
C18H15F3N4O3
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|---|---|
| Molecular Weight |
392.331914186478
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| Exact Mass |
392.109
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| CAS # |
1929519-13-0
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| PubChem CID |
121349608
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
605
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| Defined Atom Stereocenter Count |
1
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| SMILES |
FC(OC1C=CC(=CC=1)[C@H](C)NC(CN1C(C2C=CC=CC=2N=N1)=O)=O)(F)F
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| InChi Key |
JZGLECLGVQRPPI-NSHDSACASA-N
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| InChi Code |
InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1
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| Chemical Name |
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
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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) |
DMSO: 100 mg/mL (254.89 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.37 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5489 mL | 12.7444 mL | 25.4887 mL | |
| 5 mM | 0.5098 mL | 2.5489 mL | 5.0977 mL | |
| 10 mM | 0.2549 mL | 1.2744 mL | 2.5489 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.
Link: https://clinicaltrials.gov/ct2/show/NCT05165394
Conditions:Anhedonia|Major Depressive DisorderLink: https://clinicaltrials.gov/ct2/show/NCT02748694
Conditions:Healthy Volunteers|SchizophreniaLink: https://clinicaltrials.gov/ct2/show/NCT02959892
Conditions:Healthy Volunteers
Title:A Randomized, Double-Blind, Placebo Controlled, Two-Period Cross-Over, Proof of Activity Study to Evaluate the Effects of TAK-041 on Motivational Anhedonia as Add-On to Antipsychotics in Participants With Stable Schizophrenia
Status:Completed
updateDate:2021-03-19
Ctid:NCT03319953
Link: https://clinicaltrials.gov/ct2/show/NCT03319953
Conditions:Stable SchizophreniaProducts are for research use only; We do not sell to patients
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