ChemicalBook > CAS DataBase List > 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

Product Name: 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
CAS No.: 839713-36-9
Chemical Name: 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
Synonyms: APD125;APD-125;APD 125;RVT-102);Nelotanserin;APD125(Nelotanserin);Nelotanserin (APD-125;APD125;APD-125;APD 125;Nelotanserin, 10 mM in DMSO;APD125; APD-125; APD 125; NELOTANSERIN
CBNumber: CB12484964
Molecular Formula: C18H15BrF2N4O2
Formula Weight: 437.24
MOL File: 839713-36-9.mol

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1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea Property

Boiling point:: 425.9±45.0 °C(Predicted)
Density: 1.55±0.1 g/cm3(Predicted)
storage temp.: Store at -20°C
solubility: DMSO:32.0(Max Conc. mg/mL);73.2(Max Conc. mM)
form: Solid
pka: 12.29±0.70(Predicted)
color: White to off-white

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: N389655
Product name: Nelotanserin
Packaging: 5mg
Price: $165
Updated: 2021/12/16

TRC

Product number: N389655
Product name: Nelotanserin
Packaging: 25mg
Price: $670
Updated: 2021/12/16

AK Scientific

Product number: 9867CS
Product name: Nelotanserin
Packaging: 100mg
Price: $549
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB101032
Product name: 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
Packaging: 50mg
Price: $231
Updated: 2021/12/16

ChemScene

Product number: CS-5984
Product name: Nelotanserin
Purity: 99.79%
Packaging: 25mg
Price: $250
Updated: 2021/12/16

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1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea Chemical Properties,Usage,Production

Uses

Nelotanserin is a potent selective 5-HT2A inverse agonist, nelotanserin has low nanomolar potency on the 5-HT2A receptor with at least 30- and 5000-fold selectivity compared with 5-HT2C and 5-HT2B receptors.

Definition

ChEBI: Nelotanserin is a member of pyrazoles and a ring assembly.

Synthesis

720702-45-4

59025-55-7

839713-36-9

3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyaniline (16.7 kg) was dissolved in acetonitrile (78.6 kg) in a 200 liter glass jacketed reactor under nitrogen protection. Top stirring was turned on and the internal temperature was controlled within the specified range. Subsequently, 2,4-difluorophenyl isocyanate was slowly added to keep the temperature of the reaction system stable. Upon completion of the reaction, the target product 1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl)-3-(2,4-difluorophenyl)urea was isolated and purified by appropriate post-treatment steps.

in vivo

Each compound is tested in a minimum of five rats by oral gavage with administration occurring in the middle of the inactive period, 6 h after light onset. The delta power during non-REM sleep (NREMS) is significantly different between all the analogues tested and the vehicle control. Nelotanserin (Compound 39) produces significant increases in delta power that persist for the first 4 h following dosing. Significant differences are found, however, in NREMS bout length. Nelotanserin significantly increases NREMS bout length during the first hour following dosing, and 3 does so during the second hour. In conjunction with this increased NREM bout duration, the number of NREM bouts decrease during the first hour for Nelotanserin (p<0.01) as well as for compound 15 (p<0.05)^[2].

IC 50

5-HT_2A Receptor: 1.7 nM (IC₅₀); 5-HT_2C Receptor: 79 nM (IC₅₀); 5-HT_2B Receptor: 791 nM (IC₅₀)

References

[1] Patent: US2016/67216, 2016, A1. Location in patent: Paragraph 0834; 0835
[2] Patent: WO2010/62321, 2010, A1. Location in patent: Page/Page column 75-76
[3] Journal of Medicinal Chemistry, 2010, vol. 53, # 5, p. 1923 - 1936
[4] Patent: WO2006/81335, 2006, A2. Location in patent: Page/Page column 34-37

1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea Preparation Products And Raw materials

Raw materials

Preparation Products

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839713-36-9, 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)ureaRelated Search:

APD125(Nelotanserin)

APD 125

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1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

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1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

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RVT-102)

839713-36-9