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1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2)(CAS: 16789-98-3)

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin
ylglycinamide acetate (1:2)
CAS Number

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Basic Information

Molecular Formula
C50H72N14O16S2
Molecular Weight
1189.34 g/mol

Physical Properties

Density
1.56

Chemical Identifiers

SMILES
CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
InChIKey
GNASTRMPURYAFJ-VCCVNBJCSA-N

Database References

MDL Number
MFCD00133962

FAQ

This compound is a crystalline solid with a high molecular weight. It has a low aqueous solubility but excellent solubility in organic solvents such as dimethyl sulfoxide (DMSO). The compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under neutral pH conditions but may degrade under acidic or basic conditions. Additionally, it is prone to hydrolysis in the presence of water.
This compound is synthesized through a multi-step process involving the coupling of amino acids and peptide synthesis techniques. The reaction typically requires the use of coupling agents such as N,N'-diisopropylcarbodiimide (DIC) and 1-hydroxybenzotriazole (HOBT). The reaction is carried out in anhydrous conditions to minimize side reactions. The yield is generally between 60% and 70% with good selectivity towards the desired product.
This compound is primarily used in the pharmaceutical industry for the development of novel drugs and as a research reagent. It may also find applications in biotechnology for the synthesis of complex peptides and in materials science for the synthesis of polymeric materials with specific functional groups.
When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. The SDS (Safety Data Sheet) should be consulted for detailed information on handling and storage. The compound is sensitive to moisture and should be stored in a desiccator or under a nitrogen atmosphere to prevent hydrolysis.

Safety Notice

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

Always follow proper handling procedures

Contact Information

Contact Person

Ashley Chen - Sales

Email

shiqx@jymed.cn