N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide | CAS No. 209986-17-4

N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide

Basic Information

CAS Number

209986-17-4

Molecular Formula

C27H24F2N4O3

Molecular Weight

490.51 g/mol

AD

Basic Physical Properties

Solubility

Soluble in DMSO

C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1

InChIKey

JNGZXGGOCLZBFB-IVCQMTBJSA-N

LogP

2.9683

Topological Polar Surface Area

90.87 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

837

Safety Information

View Safety Information

Sensitiveness

Light Sensitive

Synonyms & References

English

  • Compound E
  • Γ-SECRETASE INHIBITOR BZ
  • γ-Secretase Inhibitor XXI
  • Compound E (secretase inhibitor)
  • DuPont E
  • US9023767, Compound E
  • BDBM157134
  • 2-[[2-(3,5-Difluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propana
  • gamma-Secretase Inhibitor XXI
  • (S)-2-(2-(3,5-difluorophenyl)acetamido)-N-((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanamide
  • (s,s)-2-[2-(3,5-difluorophenyl)-acetylamino]-n-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-propionamide
  • GSI-XXI
  • CompoundE
  • (2S)-2-([(3,5-Difluorophenyl)acetyl]amino)-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
  • (2S)-2-{[(3,5-Difluorophenyl)acetyl]amino}-N-[(3S)-

MDL Number

MFCD04974531

FAQ

What regulatory guidelines apply to N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide (CAS: 209986-17-4)?

This compound must comply with various regulatory guidelines including GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazardous communication, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for European Union manufacturers and importers, and FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) regulations in the United States. Specific classification and handling requirements depend on the intended use and the presence of hazardous properties such as flammability, reactivity, or toxicity.

Are there alternatives to N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide (CAS: 209986-17-4) in synthesis?

Several alternatives can be considered for this compound in synthesis, including analogs such as N~2~-[(2,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide and isomers that may offer similar or enhanced biological activities. Common alternative reagents include various acyl chlorides and carboxylic acids.

What is the market or research trend for N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide (CAS: 209986-17-4)?

The market trend for this compound shows steady growth, driven by its potential in pharmaceutical research, particularly in the development of novel therapeutic agents for neurological and psychiatric disorders. Research trends indicate an increasing focus on optimizing synthesis methods and exploring its pharmacological properties, leading to potential applications in drug discovery and personalized medicine.

How should waste containing N~2~-[(3,5-Difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide (CAS: 209986-17-4) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, provided it is conducted under controlled conditions. Environmental protection measures should include minimizing the release of harmful substances into the environment and ensuring compliance with local waste management regulations. Proper labeling and documentation are essential for safe waste handling and disposal.

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