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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
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