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N-[(1-Cyanocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide(CAS: 2097381-85-4)

N-[(1-Cyanocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
CAS Number

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Basic Information

Molecular Formula
C27H33N5O4S
Molecular Weight
523.65 g/mol

Chemical Identifiers

SMILES
Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C#N)O
InChIKey
NDVQUNZCNAMROD-RZUBCFFCSA-N

Database References

MDL Number
MFCD30742947

FAQ

N-[(1-Cyanocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide is a white or off-white crystalline solid with a molecular weight of approximately 682.83 g/mol. It has a high solubility in polar solvents like dimethyl sulfoxide (DMSO) and low solubility in water. The compound exhibits moderate reactivity in aqueous solutions, with a pKa of about 8.0. It is susceptible to hydrolysis under acidic conditions.
N-[(1-Cyanocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide is synthesized via a multi-step process involving acylation, amidation, and alkylation reactions. The process typically requires protected precursors, careful control of reaction conditions, and the use of catalysts like titanium(IV) isopropoxide. The overall yield is around 60-70%, with excellent selectivity to the desired product.
N-[(1-Cyanocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide is primarily used in the pharmaceutical industry for the development of new drugs. It has potential applications in the treatment of various diseases, including cancer and neurological disorders. Additionally, it can be used in the synthesis of other complex molecules for further research and development.
When handling N-[(1-Cyanocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area, preferably under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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