KN-62

KN-62

Names
Preferred IUPAC name 4-[(2S)-2-(N-Methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
Identifiers
CAS Number	127191-97-3 Y
3D model ( JSmol )	Interactive image
ChemSpider	4471558
IUPHAR/BPS	4235
MeSH	C063302
PubChem CID	5312126
UNII	63HM46XPOW Y
CompTox Dashboard (EPA)	DTXSID70925812
InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1 Key: RJVLFQBBRSMWHX-DHUJRADRSA-N InChI=1/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1 Key: RJVLFQBBRSMWHX-DHUJRADRBK
SMILES CN([C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7
Properties
Chemical formula	C38H35N5O6S2
Molar mass	721.84 g/mol
Boiling point	964.7±75.0 °C at 760 mmHg
Hazards
Flash point	537.3±37.1 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

KN-62 is a derivative of isoquinolinesulfonamide, it is a selective, specific and cell permeable inhibitor of

KN-62 blocks the combination of CaM and CaMK II by binding directly to the calmodulin binding site of the enzyme, disenables CaMK II's autophosphorylation, consequently leading inactivation. Kinetic analysis exhibits that this inhibitory effect of KN-62 is competitive with respect to calmodulin.^[3] Since KN-62 binds to the calmodulin binding site of CaMK II, KN-62 doesn't inhibit activity of autophosphorylated CaMK II.
Besides, KN-62 also acts as a potent non-competitive antagonist at the purinergic receptor P2RX7 with IC50 of 15nM.

References

This article about an organic compound is a stub. You can help Wikipedia by expanding it.

• v
• t
• e