N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide | CAS No. 1222468-90-7

N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide

Basic Information

CAS Number

1222468-90-7

Molecular Formula

C33H52N8O8S2

Molecular Weight

752.94 g/mol

AD

Basic Physical Properties

CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=S)NC1=CC=C(C=C1)N=C=S)O)O)O

InChI

InChI=1S/C33H52N8O8S2/c1-26(42)39(47)22-8-2-5-19-34-29(43)15-17-31(45)40(48)23-9-3-6-20-35-30(44)16-18-32(46)41(49)24-10-4-7-21-36-33(51)38-28-13-11-27(12-14-28)37-25-50/h11-14,47-49H,2-10,15-24H2,1H3,(H,34,43)(H,35,44)(H2,36,38,51)

InChIKey

HBAYEVATSBINBX-UHFFFAOYSA-N

LogP

3.684300000000003

Topological Polar Surface Area

216.23999999999992 Ų

Hydrogen Bond Donor/Acceptor

7 / 16

Complexity

1140

Synonyms & References

English

  • TMK6ND3QJH
  • Deferoxamine-p-SCN
  • p-SCN-Bn-deferoxamine
  • p-NCS-Bz-DFO
  • p-Isothiocyanatobenzyl-desferrioxamine
  • N4-(5-((4-((5-(Acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N1-hydroxy-N1-(5-((((4-isothiocyanatophenyl)amino)thioxomethyl)amino)pentyl)butanediamide
  • n1-hydroxy-n1-(5-(4-(hydroxy(5-(3-(4-isothiocyanatophenyl)thioureido) pentyl)amino)-4-oxobutanamido)pentyl)-n4-(5-(N-hydroxyacetamido)pentyl)succinamide
  • Unii-tmk6ND3qjh

FAQ

What are the physical and chemical properties of N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7)?

N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7) is a crystalline compound with a high melting point. Its molecular weight is approximately 1000 g/mol. This compound has low solubility in water but good solubility in organic solvents. Chemically, it is highly reactive towards nucleophiles and can undergo various transformations under appropriate conditions.

How is N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7) typically synthesized?

N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7) is synthesized through multi-step organic synthesis involving peptide synthesis techniques. The reaction typically requires a protecting group strategy, followed by amino acid conjugation, and then removal of protecting groups. The yield is moderate, around 50-70%, and the process involves careful control of pH and temperature.

What industries use N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7)?

N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7) is primarily used in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in the research of sensor technologies and materials science due to its unique chemical structure and reactivity.

What precautions should be taken when handling N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7)?

When handling N'-{5-[Acetyl(hydroxy)amino]pentyl}-N-hydroxy-N-[5-({4-[hydroxy(5-{[(4-isothiocyanatophenyl)carbamothioyl]amino}pentyl)amino]-4-oxobutanoyl}amino)pentyl]succinamide (CAS: 1222468-90-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled with caution, using absorbent materials, and the area should be carefully cleaned. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.

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