N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide | CAS No. 839707-37-8

N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide

Basic Information

CAS Number

839707-37-8

Molecular Formula

C27H25F3N8O2

Molecular Weight

550.55 g/mol

AD

Basic Physical Properties

Density

1.43

Solubility

DMSO: soluble10mg/mL (clear solution)

O=C1N(Cc2c(N1C)nc(nc2)Nc1cc(nn1C)C)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F

InChI

InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)

InChIKey

NBZFRTJWEIHFPF-UHFFFAOYSA-N

LogP

5.418040000000005

Topological Polar Surface Area

108.28 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

  • PLURIPOTIN
  • N-(3-(7-(1,3-dimethyl-1H-pyrazol-5-ylamino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide
  • N-(3-(7-(1,3-DIMETHYL-1H-PYRAZOL-5-YLAMINO)-1-METHYL-2-OXO-1,2-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-3(4H)-YL)-4-METHYLPHENYL...
  • SC-1
  • SC1
  • N-[3-[7-(2,5-Dimethyl-2H-pyrazol-3-ylamino)-1-methyl-2-oxo-1,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-trifluoromethyl-benzamide
  • SC 1
  • Pluripotin

MDL Number

MFCD20527253

FAQ

What regulatory guidelines apply to N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8)?

N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8) must adhere to various regulatory guidelines. These include the Globally Harmonized System (GHS) for classification and labeling of chemicals, European Union’s REACH regulations, and FDA/EPA requirements for its safe handling and transport. Additionally, it should comply with local and national regulations regarding chemical storage, disposal, and environmental protection.

Are there alternatives to N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8) in synthesis?

There are alternatives to N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8) in synthesis. Researchers often explore analogs and isomers, as well as substitute reagents such as other trifluoromethylated benzamides or related pyrimidine derivatives. These alternatives can offer similar functionalities while potentially providing better synthetic accessibility or reactivity.

What is the market or research trend for N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8)?

The market for N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8) is currently experiencing growth due to its potential in medicinal chemistry and pharmaceutical applications. Research trends include its use as a scaffold in drug discovery, particularly in antiviral and anticancer therapies. The trend also includes the exploration of its biosynthetic pathways and its interaction with biological targets.

How should waste containing N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8) be handled?

Waste containing N-(3-{7-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide (CAS: 839707-37-8) should be collected in appropriate sealed containers and stored in a secure location. Incineration is a common method for disposal, but it must be done in an environmentally compliant manner. Professional waste disposal services can also be utilized to ensure safe and regulated disposal. Environmental precautions include ensuring no leaching into groundwater and compliance with local waste management regulations.

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