N-[(1S,9S)-9-Ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl]-2-hydroxyacetamide | CAS No. 1599440-33-1

N-[(1S,9S)-9-Ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl]-2-hydroxyacetamide

Basic Information

CAS Number

1599440-33-1

Molecular Formula

C26H24FN3O6

Molecular Weight

493.49 g/mol

AD

Basic Physical Properties

CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(c(c6c5c4[C@H](CC6)NC(=O)CO)C)F)O

InChI

InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)/t17-,26-/m0/s1

InChIKey

PLXLYXLUCNZSAA-QLXKLKPCSA-N

LogP

1.62292

Topological Polar Surface Area

130.75 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

1080

Synonyms & References

English

  • Dxd
  • OQM5SD32BQ
  • NSC825332
  • Unii-oqm5SD32BQ
  • Exatecan derivative for ADC

MDL Number

MFCD31657444

FAQ

What are the physical and chemical properties of N-[(1S,9S)-9-Ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hydroxyacetamide] (CAS: 1599440-33-1)?

The compound is crystalline with a high melting point. Its molecular weight is approximately 519.35 g/mol. It has limited solubility in water and is soluble in organic solvents such as ethanol and DMSO. The compound is moderately reactive, showing good stability under normal conditions but degrading under acidic or basic conditions. It reacts well with nucleophiles and exhibits amide and alcohol functionalities.

How is N-[(1S,9S)-9-Ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hydroxyacetamide] (CAS: 1599440-33-1) typically synthesized?

This compound is typically synthesized through a multistep process involving the formation of a key intermediate, followed by dehydration and amide formation. Commonly used catalysts include organometallic reagents and acid or base catalysts. The synthesis involves protecting groups to control reactivity and ensure selectivity, leading to high yields of the desired product.

What industries use N-[(1S,9S)-9-Ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hydroxyacetamide] (CAS: 1599440-33-1)?

This compound finds applications in the pharmaceutical industry, particularly in drug development for targeted therapies. It may also be used in research for studying bioactive compounds. While not commonly used in polymers or sensors, its unique chemical structure makes it valuable for academic and industrial research in the field of organic chemistry.

What precautions should be taken when handling N-[(1S,9S)-9-Ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hydroxyacetamide] (CAS: 1599440-33-1)?

When handling this compound, wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Ensure the work is conducted in a well-ventilated area or fume hood to avoid inhalation of vapors. Store the compound in a cool, dry place away from direct sunlight. In case of spill, neutralize the spill with an appropriate neutralizing agent and clean up according to standard safety protocols. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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