N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide | CAS No. 9025-24-5

N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide

Basic Information

CAS Number

9025-24-5

Molecular Formula

C31H38N4O7S

Molecular Weight

610.73 g/mol

AD

Basic Physical Properties

CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C31H38N4O7S/c1-20(32-26(36)15-16-27(37)38)28(39)33-21(2)30(41)35-17-9-14-25(35)29(40)34-24(18-22-10-5-3-6-11-22)31(42)43-19-23-12-7-4-8-13-23/h3-8,10-13,20-21,24-25H,9,14-19H2,1-2H3,(H,32,36)(H,33,39)(H,34,40)(H,37,38)

InChIKey

TWURVFFNODFJBJ-UHFFFAOYSA-N

LogP

2.0391000000000012

Topological Polar Surface Area

161.98 Ų

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

997

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H334H334
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 4-({1-[(1-{2-[{[1-(Benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]imino}(hydroxy)methyl]pyrrolidin-1-yl}-1-oxopropan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-4-hydroxybutanoic acid
  • FT-0623486
  • Carboxypeptidase B from human pancreas, 50-55 units/mg protein carboxypeptidase B
  • Carboxypeptidase B
  • FT-0771545
  • 4-[[1-[[1-[2-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
  • Carboxypeptidase B from porcine pancreas, lyophilized powder
  • 9025-24-5
  • DTXSID801009277
  • Recombinant Carboxypeptidase B
  • Carboxypeptidase B from porcine pancreas
  • Carboxypeptidase B from porcine pancreas(PMSF Treated)
  • 1KU
  • Carboxypeptidase B from human pancreas
  • Peptidyl-L-lysine(L-arginine) hydrolase
  • Protaminase
  • Protaminase,AEBSF treated
  • Peptidyl-L-Lysine[L-arginine] hydrolase
  • E.C. 3.4.12.3
  • E.C. 3.4.17.2
  • E.C. 3.4.2.2

MDL Number

MFCD00081476

FAQ

What are the physical and chemical properties of N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide (CAS: 9025-24-5)?

N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide is a crystalline compound with a molecular weight of approximately 712.85 g/mol. It has a solubility of 0.2 g/100 mL in water and is practically insoluble in ethanol. The compound reacts readily with bases and has limited stability in acidic conditions. It is a chiral molecule with potential asymmetry in its structure.

How is N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide (CAS: 9025-24-5) typically synthesized?

N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide is synthesized using multistep peptide synthesis techniques. Commonly, solid-phase peptide synthesis is employed, utilizing benzhydrylamine (Bz-Cl) as the coupling reagent and N,N-diisopropylethylamine (DIPEA) as the base. The synthesis involves multiple cycles of coupling, cleavage, and purification steps to achieve the desired yield and purity.

What industries use N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide (CAS: 9025-24-5)?

N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide is primarily used in pharmaceutical and biomedical industries. It has potential applications in drug discovery, as a building block for peptide synthesis, and in the development of peptide-based therapeutics. Additionally, it may be used in sensor technology for detecting specific analytes or in the synthesis of novel materials for biomedical applications.

What precautions should be taken when handling N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide (CAS: 9025-24-5)?

When handling N-(3-Carboxypropanoyl)alanylalanyl-N-[1-(benzylsulfanyl)-1-oxo-3-phenyl-2-propanyl]prolinamide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be handled with caution; neutralize with appropriate chemicals and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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