1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea | CAS No. 839713-36-9

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

Basic Information

CAS Number

839713-36-9

Molecular Formula

C18H15BrF2N4O2

Molecular Weight

437.24 g/mol

AD

Basic Physical Properties

Boiling Point

425.886°C at 760 mmHg

CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(C=C3)F)F)OC

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)

InChIKey

COSPVUFTLGQDQL-UHFFFAOYSA-N

LogP

4.780400000000001

Topological Polar Surface Area

68.17999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

518

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • APD 125
  • UREA, N-(3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL)-N'-(2,4-DIFLUOROPHENYL)-
  • BCP24992
  • NS00072232
  • D09645
  • AKOS027255058
  • COSPVUFTLGQDQL-UHFFFAOYSA-N
  • EX-A3147
  • NELOTANSERIN [INN]
  • DTXSID40232868
  • 1-(3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl)-3-(2,4-difluorophenyl)urea
  • APD-125
  • 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)-urea
  • HY-10559
  • NELOTANSERIN [USAN]
  • APD125(Nelotanserin)
  • MFCD16619341
  • 1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-diluorophenyl)urea
  • UNII-4ZA73QEW2P
  • CHEBI:177438
  • DB12555
  • Nelotanserin [USAN:INN]
  • Nelotanserin (USAN/INN)
  • 4ZA73QEW2P
  • Q6990276
  • SB19023
  • CHEMBL598172
  • AS-30117
  • CS-5984
  • 1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREA
  • 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)urea

MDL Number

MFCD16619341

FAQ

What regulatory guidelines apply to 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 (CAS: 839713-36-9) must comply with regulatory guidelines such as the REACH regulations for chemical substances in the European Union, and the EPA and FDA requirements for toxic substances in the United States. It should also adhere to GHS classification for hazardous material handling and labeling. Further, local and regional regulations may apply, so it's important to consult relevant authorities.

Are there alternatives to 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (CAS: 839713-36-9) in synthesis?

There are several alternatives to 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (CAS: 839713-36-9) in synthesis. Common alternatives include similar urea derivatives with different substituents, such as those with different aromatic groups or different heterocycles. Isomers and analogs can also be used depending on the specific requirements of the synthesis process.

What is the market or research trend for 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (CAS: 839713-36-9)?

The market and research trends for 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (CAS: 839713-36-9) are primarily focused on its use as a pharmaceutical intermediate. There is ongoing research into its potential therapeutic applications, particularly in the treatment of various diseases. Market demand is expected to grow as new applications are discovered and developed.

How should waste containing 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (CAS: 839713-36-9) be handled?

Waste containing 1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (CAS: 839713-36-9) should be collected and handled according to the local regulations and guidelines. Typically, such waste should be stored in appropriate containers and disposed of through professional waste disposal services. Special precautions should be taken to prevent environmental contamination, and incineration or other safe disposal methods should be used as necessary. Always consult with environmental protection authorities for specific guidelines.

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