5-Isoquinolinesulfonic acid,4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester


Chemical Name: 5-Isoquinolinesulfonic acid,4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester
CAS Number: 127191-97-3
Product Number: AG000WQW(AGN-PC-0PIH61)
Synonyms:
MDL No:
Molecular Formula: C38H35N5O6S2
Molecular Weight: 721.8444

Identification/Properties


Computed Properties
Molecular Weight:
721.847g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
10
Exact Mass:
721.203g/mol
Monoisotopic Mass:
721.203g/mol
Topological Polar Surface Area:
147A^2
Heavy Atom Count:
51
Formal Charge:
0
Complexity:
1370
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



KN-62 is a selective and potent inhibitor of calmodulin-dependent protein kinase II (CaMKII), a key enzyme in various cellular processes. In chemical synthesis, KN-62 is commonly utilized as a tool compound to investigate the role of CaMKII in signaling pathways or to explore the effects of CaMKII inhibition on specific biochemical reactions. Due to its high selectivity for CaMKII, KN-62 is valuable for studying the downstream consequences of inhibiting this important enzyme, making it a valuable tool for researchers in the fields of biochemistry and pharmacology.