CAS 127191-97-3

4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate

Description:

The chemical substance known as "4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate," with the CAS number 127191-97-3, is a complex organic compound characterized by its multi-functional structure. It features an isoquinoline moiety, which is known for its biological activity, particularly in pharmacology. The presence of a sulfonate group suggests potential solubility in aqueous environments, enhancing its bioavailability. The compound also contains a piperazine ring, which is often associated with various pharmacological properties, including anxiolytic and antidepressant effects. Its stereochemistry, indicated by the (2S) configuration, implies specific spatial arrangements that can influence its interaction with biological targets. Overall, this compound is likely to be of interest in medicinal chemistry, particularly in the development of therapeutic agents targeting neurological or psychiatric disorders, given its structural components that are commonly associated with such activities.

Formula: C₃₈H₃₅N₅O₆S₂

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

InChI key: InChIKey=RJVLFQBBRSMWHX-DHUJRADRSA-N

SMILES: S(N([C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)CC3=CC=C(OS(=O)(=O)C=4C5=C(C=CC4)C=NC=C5)C=C3)C)(=O)(=O)C=6C7=C(C=CC6)C=NC=C7

Synonyms:

• (S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate
• (S)-5-Isoquinolinesulfonic Acid 4-(2-[(5-Isoquinolinylsulfonyl)Methylamino]- 3-Oxo-3-[4-Phenyl-1-Piperazinyl]Propyl)Phenyl Ester
• 1-[N,O-Bis-(5-Isoquinolinesulfonyl)-N-Methyl-L-Tyrosyl]-4-Phenylpiperazine
• 4-((2s)-2-((5-Isoquinolinylsulfonyl)Methylamino)-3-Oxo-3-(4-Phenyl-1-Piperazinyl)Propyl)Phenylisoquinolinesulfonicacid
• 4-[(2S)-2-[(5-Isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate
• 4-[(2S)-2-[(isoquinolin-5-ylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
• 4-{2-[(Isoquinolin-5-Ylsulfonyl)(Methyl)Amino]-3-Oxo-3-(4-Phenylpiperazin-1-Yl)Propyl}Phenyl Isoquinoline-5-Sulfonate
• 5-Isoquinolinesulfonic acid, 4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester
• 5-Isoquinolinesulfonic acid, 4-[2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester, (S)-
• Kn-62

KN-62

CAS: 127191-97-3

Potently and specifically inhibits calcium/calmodulin kinase II

Formula: C₃₈H₃₅N₅O₆S₂

Color and Shape: Powder

Molecular weight: 721.84

Ref: 02-J62444

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

CAS: 127191-97-3

Formula: C₃₈H₃₅N₅O₆S₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 721.8444

Ref: IN-DA000WQW

(S)-4-(2-(N-Methylisoquinoline-5-Sulfonamido)-3-Oxo-3-(4-Phenylpiperazin-1-Yl)Propyl)Phenyl Isoquinoline-5-Sulfonate

CAS: 127191-97-3

(S)-4-(2-(N-Methylisoquinoline-5-Sulfonamido)-3-Oxo-3-(4-Phenylpiperazin-1-Yl)Propyl)Phenyl Isoquinoline-5-Sulfonate

Purity: 99%

Molecular weight: 721.84g/mol

Ref: 54-OR1023208

KN-62

CAS: 127191-97-3

Formula: C₃₈H₃₅N₅O₆S₂

Molecular weight: 721.84

Ref: 7W-GK6974

KN-62

CAS: 127191-97-3

KN-62

Purity: ≥98%

Molecular weight: 721.84g/mol

Ref: 54-BUP03323

KN-62

CAS: 127191-97-3

KN-62 is a potent and specific Ca2+/calmodulin-dependent protein kinase II (CaMKII) inhibitor with Ki of 0.9 μM.

Formula: C₃₈H₃₅N₅O₆S₂

Purity: 99.80% - >99.99%

Color and Shape: White Solid

Molecular weight: 721.84

Ref: TM-T2694

KN 62

Controlled Product

CAS: 127191-97-3

Inhibitor of calcium/calmodulin-dependent protein kinase II

Formula: C₃₈H₃₅N₅O₆S₂

Purity: Min. 95%

Color and Shape: White To Off-White To Yellow Solid

Molecular weight: 721.85 g/mol

Ref: 3D-FB24811