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(E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine(CAS: 186698-61-3)

(E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine
CAS Number

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Basic Information

Molecular Formula
C24H38N4O7S
Molecular Weight
526.66 g/mol

Chemical Identifiers

SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OC(C)(C)C)N)C
InChIKey
CVFXPOKENLGCID-QGZVFWFLSA-N

Database References

MDL Number
MFCD00236822

FAQ

This compound is a crystalline solid with a molecular weight of approximately 653.8 g/mol. It is poorly soluble in water but has good solubility in organic solvents like methanol and dimethyl sulfoxide. Chemically, it is highly reactive, especially towards nucleophiles and reducing agents. It has been observed to form stable complexes with metal ions and to undergo facile conjugate addition reactions.
This compound can be synthesized via a multi-step process involving the condensation of D-ornithine with a sulfonyl chloride derivative, followed by amino and methyl ester substitutions. The key steps include protecting group manipulations and selective functional group transformations. The overall yield is moderate, around 50-60%, and the process requires careful control of reaction conditions to achieve high purity.
This compound finds applications in the pharmaceutical industry for drug development, particularly in the synthesis of bioactive molecules and as a building block for complex organic structures. It is also used in the development of sensors and semiconductors due to its unique chemical and electronic properties.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly flushed with water. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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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