936233-08-8 Usage
Description
(S)-4-(Isoquinoline-5-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester dihydrochloride is a complex chemical compound featuring an isoquinoline-5-sulfonyl group attached to a piperazine ring. It also includes a carboxylic acid tert-butyl ester group and two dihydrochloride ions. (S)-4-(Isoquinoline-5-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester dihydrochloride is widely utilized in the fields of biochemical and pharmaceutical research, particularly for the study of enzyme inhibitors and drug development. Its potential applications in the treatment of various diseases and conditions are currently under investigation.
Uses
Used in Biochemical Research:
(S)-4-(Isoquinoline-5-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester dihydrochloride is used as a research tool for studying enzyme inhibitors. Its unique structure allows it to interact with specific enzymes, providing valuable insights into their function and potential as therapeutic targets.
Used in Pharmaceutical Research and Drug Development:
In the pharmaceutical industry, (S)-4-(Isoquinoline-5-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester dihydrochloride is used as a starting material or intermediate in the synthesis of various drug candidates. Its potential role in the development of novel therapeutics for a range of diseases is currently being explored.
Used in the Treatment of Various Diseases and Conditions:
Although further research is required, (S)-4-(Isoquinoline-5-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester dihydrochloride may have potential applications in the treatment of various diseases and conditions. Its specific interactions with enzymes and other biological targets could lead to the development of targeted therapies for conditions such as cancer, neurological disorders, and inflammatory diseases.
Check Digit Verification of cas no
The CAS Registry Mumber 936233-08-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,3,6,2,3 and 3 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 936233-08:
(8*9)+(7*3)+(6*6)+(5*2)+(4*3)+(3*3)+(2*0)+(1*8)=168
168 % 10 = 8
So 936233-08-8 is a valid CAS Registry Number.
936233-08-8Relevant articles and documents
Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding
Wienen-Schmidt, Barbara,Jonker, Hendrik R. A.,Wulsdorf, Tobias,Gerber, Hans-Dieter,Saxena, Krishna,Kudlinzki, Denis,Sreeramulu, Sridhar,Parigi, Giacomo,Luchinat, Claudio,Heine, Andreas,Schwalbe, Harald,Klebe, Gerhard
, p. 5922 - 5933 (2018)
Biophysical parameters can accelerate drug development; e.g., rigid ligands may reduce entropic penalty and improve binding affinity. We studied systematically the impact of ligand rigidification on thermodynamics using a series of fasudil derivatives inhibiting protein kinase A by crystallography, isothermal titration calorimetry, nuclear magnetic resonance, and molecular dynamics simulations. The ligands varied in their internal degrees of freedom but conserve the number of heteroatoms. Counterintuitively, the most flexible ligand displays the entropically most favored binding. As experiment shows, this cannot be explained by higher residual flexibility of ligand, protein, or formed complex nor by a deviating or increased release of water molecules upon complex formation. NMR and crystal structures show no differences in flexibility and water release, although strong ligand-induced adaptations are observed. Instead, the flexible ligand entraps more efficiently water molecules in solution prior to protein binding, and by release of these waters, the favored entropic binding is observed.
