[3-(2-{[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]acetonitrile

Basic Information

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CAS Number

1239875-86-5

Molecular Formula

C26H26FN7

Molecular Weight

444.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (1.5E-3 g/L) (25 ºC),

SMILES

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Cc1c[nH]c2c1c(nc(n2)Nc3ccc(c(c3)F)N4CCN(CC4)C)c5cccc(c5)CC#N

InChI

InChI=1S/C26H26FN7/c1-17-16-29-25-23(17)24(19-5-3-4-18(14-19)8-9-28)31-26(32-25)30-20-6-7-22(21(27)15-20)34-12-10-33(2)11-13-34/h3-7,14-16H,8,10-13H2,1-2H3,(H2,29,30,31,32)

InChIKey

BCFKACXAIBEPKR-UHFFFAOYSA-N

LogP

5.130220000000005

Topological Polar Surface Area

60.080000000000005 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

719

Synonyms & References

English

SGI 7079
SGI-7079
SGI7079
2-[3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile
2-(3-(2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)acetonitrile
3-[2-[[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzeneacetonitrile
2-[3-(2-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pheny

MDL Number

MFCD28963942

FAQ

What regulatory guidelines apply to [3-(2-{[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]acetonitrile (CAS: 1239875-86-5)?

This compound (CAS: 1239875-86-5) falls under various regulatory guidelines depending on its intended use, including GHS hazard classification for physical and health hazards, REACH registration for chemical substances, and FDA and EPA requirements for pharmaceutical and agricultural products. Producers and handlers should comply with specific health and safety data sheets and follow the relevant regulations for import, export, and handling.

Are there alternatives to [3-(2-{[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]acetonitrile (CAS: 1239875-86-5) in synthesis?

There are several alternatives in synthesis, such as using isomers or analogs like 3-(2-{[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene. Common alternative reagents could include 4-fluoro-3-(4-methyl-1-piperazinyl)phenylamine or other related compounds that can serve as effective substitutes.

What is the market or research trend for [3-(2-{[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]acetonitrile (CAS: 1239875-86-5)?

The market for this compound (CAS: 1239875-86-5) is evolving with increasing research interest in its pharmacological and biological applications. Recent studies highlight its potential in treating various diseases, leading to growing demand. Research trends include exploring its mechanisms of action, developing new formulations, and assessing its efficacy and safety in clinical trials.

How should waste containing [3-(2-{[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]acetonitrile (CAS: 1239875-86-5) be handled?

Waste containing this compound (CAS: 1239875-86-5) should be collected in appropriate containers and stored separately. For proper disposal, engage professional hazardous waste management services. Ensure all safety measures are followed, including personal protective equipment, and follow local and national regulations for the incineration or other environmentally safe disposal methods.