5-[4-({4-[4-(3-Oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile | CAS No. 1893397-65-3

5-[4-({4-[4-(3-Oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile

Basic Information

CAS Number

1893397-65-3

Molecular Formula

C28H31N7O3

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

N#CC1C=C(C=CC=1OC1CCOCC1)C1N=C(NC2C=CC(=CC=2)N2CCN(CC2)C2COC2)N=CN=1

InChI

InChI=1S/C28H31N7O3/c29-16-21-15-20(1-6-26(21)38-25-7-13-36-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)

InChIKey

QYQFLAQHGHBIFA-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

785

Synonyms & References

English

  • TBK1/IKKepsilon-IN-5
  • BDBM277845
  • TBK1/IKK
  • A-IN-1(compound 1)
  • US10040781, Example 67
  • s8922
  • 5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile
  • 2-(oxan-4-yloxy)-5-[4-[4-[4- (oxetan-3-yl)piperazin-1- yl]anilino]-1,3,5-triazin-2- yl]benzonitrile
  • 2-(Oxan-4-yloxy)-5-[4-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]-1,3,5-triazin-2-yl]benzonitrile
  • TBK1/IKKε-IN-5

MDL Number

MFCD32067990

FAQ

What regulatory guidelines apply to 5-[4-({4-[4-(3-Oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile (CAS: 1893397-65-3)?

This compound (CAS: 1893397-65-3) is subject to various regulatory guidelines including GHS classification for hazard communication, REACH regulations for European market safety requirements, and FDA/EPA guidelines for the use in pharmaceuticals and environmental protection respectively. It is advisable to consult the latest regulatory databases for specific requirements and guidelines.

Are there alternatives to 5-[4-({4-[4-(3-Oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile (CAS: 1893397-65-3) in synthesis?

There are several alternatives in synthesis for this compound, such as using isomers or analogs like 5-[4-({4-[4-(2-oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile, or substituting reagents with other amino derivatives. The choice depends on the specific application and desired properties.

What is the market or research trend for 5-[4-({4-[4-(3-Oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile (CAS: 1893397-65-3)?

The market trend for this compound is growing due to its potential applications in pharmaceuticals and biotechnology. Research is focusing on its biological activity and development of new analogs with optimized properties. The increasing demand and emerging research fields indicate a promising future for this compound.

How should waste containing 5-[4-({4-[4-(3-Oxetanyl)-1-piperazinyl]phenyl}amino)-1,3,5-triazin-2-yl]-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile (CAS: 1893397-65-3) be handled?

Waste containing this compound (CAS: 1893397-65-3) should be collected in suitable containers and disposed of through professional waste disposal services. Incineration or chemical treatment may be necessary to ensure environmental safety. Always follow local and regulatory guidelines for hazardous waste management to protect the environment and public health.

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