Nelotanserin
Based on 2 publication(s) in Google Scholar
Nelotanserin is a potent 5-HT2A inverse agonist, a moderately potent 5-HT2C partial inverse agonist and a weak 5-HT2B inverse agonist, with IC50s of 1.7, 79, 791 nM in IP accumulation assays, respectively.
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- Pureté: 99.66%
- CAS No.: 839713-36-9
- Formule: C18H15BrF2N4O2
- Masse moléculaire:437.24
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Stockage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Pureté et documentation
- Références
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Help & FAQs
Publications Citing Use of MedChemExpress (MCE) Nelotanserin
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Activité biologique
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5-HT2A Receptor |
5-HT2B Receptor |
5-HT2C Receptor |
5-HT2A Receptor 1.7 nM (IC50) |
5-HT2C Receptor 79 nM (IC50) |
5-HT2B Receptor 791 nM (IC50) |
Results from IP accumulation assays suggest that Nelotanserin is a potent 5-HT2A full inverse agonist (IC50=1.7 nM), a moderately potent 5-HT2C partial inverse agonist (IC50=79 nM) (maximal response was 62% of the response obtained for the reference inverse agonist clozapine), and a weak 5-HT2B inverse agonist (IC50=791 nM). Nelotanserin displays high affinity for recombinant human 5-HT2A receptors (Ki=0.35 nM), moderate affinity for human 5-HT2C receptors (Ki=100 nM), and low affinity for human 5-HT2B receptors (2000 nM) stably expressed in HEK293 cells. The results suggest that Nelotanserin has a 262-fold higher affinity for human 5-HT2A than 5-HT2C receptors and a 6610-fold higher affinity for human 5-HT2A than 5-HT2B receptors[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 839713-36-9
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Appearance Solid
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Masse moléculaire 437.24
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Formule C18H15BrF2N4O2
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Color White to off-white
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SMILES
COC1=C(C2=C(Br)C=NN2C)C=C(NC(NC3=C(F)C=C(F)C=C3)=O)C=C1
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Synonyms
APD125
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Publications (2)
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Journal Impact Factor
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Most Recent
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ACS Chem Neurosci
Big Data Challenges Targeting Proteins in GPCR Signaling Pathways; Combining PTML-ChEMBL Models and [35S]GTPγS Binding Assays. [Abstract]2019 Nov 20;10(11):4476-4491. PMID: 31618004 -
Behav Brain Res
Nelotanserin, a selective 5-HT2A receptor inverse agonist, attenuates aspects of nicotine withdrawal but not reward in mice. [Abstract]2024 Jun 5:467:115019. PMID: 38677331
Solvant et solubilité
DMSO : ≥ 32 mg/mL (73.19 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Pureté et documentation
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Fiche technique (275 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Instruction de manipulation (2659 KB)
Références
[1]. Al-Shamma HA et al. Nelotanserin, a novel selective human 5-hydroxytryptamine2A inverse agonist for the treatment of insomnia. J Pharmacol Exp Ther. 2010 Jan;332(1):281-90. [Content Brief]
[2]. Teegarden BR et al. Discovery of 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (nelotanserin) and related 5-hydroxytryptamine2A inverse agonists for the treatment of insomnia. J Med Chem. 2010 Mar 11;53(5):1923-36. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.2871 mL | 11.4354 mL | 22.8707 mL | 57.1768 mL |
| 5 mM | 0.4574 mL | 2.2871 mL | 4.5741 mL | 11.4354 mL | |
| 10 mM | 0.2287 mL | 1.1435 mL | 2.2871 mL | 5.7177 mL | |
| 15 mM | 0.1525 mL | 0.7624 mL | 1.5247 mL | 3.8118 mL | |
| 20 mM | 0.1144 mL | 0.5718 mL | 1.1435 mL | 2.8588 mL | |
| 25 mM | 0.0915 mL | 0.4574 mL | 0.9148 mL | 2.2871 mL | |
| 30 mM | 0.0762 mL | 0.3812 mL | 0.7624 mL | 1.9059 mL | |
| 40 mM | 0.0572 mL | 0.2859 mL | 0.5718 mL | 1.4294 mL | |
| 50 mM | 0.0457 mL | 0.2287 mL | 0.4574 mL | 1.1435 mL | |
| 60 mM | 0.0381 mL | 0.1906 mL | 0.3812 mL | 0.9529 mL |
Nelotanserin Related Classifications
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