CAS 839713-36-9

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

Description:

N-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N′-(2,4-difluorophenyl)urea, with CAS number 839713-36-9, is a synthetic organic compound characterized by its complex molecular structure, which includes a urea functional group linked to two distinct aromatic moieties. The presence of a bromine atom and difluorophenyl groups contributes to its potential biological activity, making it of interest in pharmaceutical research. The compound's pyrazole ring and methoxy substitution enhance its chemical reactivity and solubility properties. Typically, such compounds are evaluated for their efficacy in various biological assays, particularly in the context of drug development. The molecular interactions, including hydrogen bonding and π-π stacking, play a crucial role in its biological activity. Additionally, the compound's stability, solubility, and reactivity can be influenced by the presence of halogen substituents, which may affect its pharmacokinetic properties. Overall, this compound represents a class of molecules that may exhibit significant therapeutic potential, warranting further investigation in medicinal chemistry.

Formula: C₁₈H₁₅BrF₂N₄O₂

InChI: InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)

InChI key: InChIKey=COSPVUFTLGQDQL-UHFFFAOYSA-N

SMILES: O(C)C1=C(C=C(NC(NC2=C(F)C=C(F)C=C2)=O)C=C1)C3=C(Br)C=NN3C

Synonyms:

• 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
• APD 125
• N-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N′-(2,4-difluorophenyl)urea
• 1-(2,4-Difluorophenyl)-3-[4-methoxy-3-(4-bromo-1-methyl-1H-pyrazol-5-yl)phenyl]urea
• Urea, N-[3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N′-(2,4-difluorophenyl)-

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

CAS: 839713-36-9

Formula: C₁₈H₁₅BrF₂N₄O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 437.2381

Ref: IN-DA00G3SM

1-(3-(4-Bromo-1-Methyl-1H-Pyrazol-5-Yl)-4-Methoxyphenyl)-3-(2,4-Difluorophenyl)Urea

CAS: 839713-36-9

1-(3-(4-Bromo-1-Methyl-1H-Pyrazol-5-Yl)-4-Methoxyphenyl)-3-(2,4-Difluorophenyl)Urea

Purity: 99%

Molecular weight: 437.24g/mol

Ref: 54-PC108672

Nelotanserin

CAS: 839713-36-9

Nelotanserin

Purity: ≥98%

Molecular weight: 437.24g/mol

Ref: 54-BUP08233

Nelotanserin

CAS: 839713-36-9

Nelotanserin (APD125): strong 5-HT2A inverse agonist (IC50: 1.7 nM), moderate 5-HT2C (79 nM), weak 5-HT2B (791 nM).

Formula: C₁₈H₁₅BrF₂N₄O₂

Purity: 98.42% - 99.88%

Color and Shape: Solid

Molecular weight: 437.24

Ref: TM-T7350

Nelotanserin

CAS: 839713-36-9

1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea is the active ingredient in a drug that is used to treat chronic schizophrenia. It has been shown to have both antipsychotic and antidepressant properties. The drug works by blocking the 5HT2A receptor, which inhibits the effects of serotonin on heterocyclic amines at the postsynaptic membrane. This causes hyperpolarization of the membrane, which blocks neurotransmitter release and prevents further transmission of signals. It also blocks the H1 receptor, which decreases histamine release and reduces inflammation in the brain.

Formula: C₁₈H₁₅BrF₂N₄O₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 437.24 g/mol

Ref: 3D-FB101032