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Identification
Molecular formula
C38H37N5O6S2
CAS number
125345-58-6
IUPAC name
[4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
State
State

At room temperature, this compound is in a solid state, typically crystalline in form.

Melting point (Celsius)
208.00
Melting point (Kelvin)
481.15
Boiling point (Celsius)
748.70
Boiling point (Kelvin)
1 021.90
General information
Molecular weight
707.82g/mol
Molar mass
707.8200g/mol
Density
1.4500g/cm3
Appearence

This compound typically appears as a pale yellow crystalline powder.

Comment on solubility

Solubility of 4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate

The solubility of 4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate (C38H37N5O6S2) can be influenced by several factors, including its chemical structure and interaction with solvents. Here are some key points to consider regarding its solubility:

  • Polarity: The presence of sulfonate groups may enhance solubility in polar solvents, while extending non-polar hydrocarbon chains might lead to limited solubility in such media.
  • Hydrogen Bonding: The potential for hydrogen bonding due to functional groups can significantly affect solubility.
  • pH Dependency: The solubility might vary with pH, especially for sulfonate compounds, which tend to be more soluble in basic solutions.
  • Temperature Effects: Generally, solubility increases with temperature for many solid compounds, though exceptions do exist.

In conclusion, solubility is a complex property that depends on multiple factors. As a rule of thumb, one might say, "the more ionic and polar the compound, the greater the likelihood of increased solubility in water," but it's important to assess each specific case to understand its solubility behavior comprehensively.

Interesting facts

Interesting Facts about 4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate

This compound is a notable example of the synergy between organic chemistry and medicinal applications, specifically in the realm of pharmacology. Here are some fascinating insights into its characteristics and potential uses:

  • Drug Development: This compound embodies the essence of drug design, with its complex structure potentially leading to potent pharmacological effects. Structures incorporating isoquinoline and piperazine motifs are particularly valued in therapeutic agents.
  • Mechanism of Action: Its unique functional groups, like the sulfonyl(methyl)amino moiety, might contribute to enhanced binding interactions with biological targets, potentially leading to improved efficacy and specificity.
  • Therapeutic Potential: Given its intricate design, researchers are exploring compounds like this for their applications in treating neurological disorders, depression, and other central nervous system conditions.

Research Insights

In the exploration of compounds like this, chemists often note:

  • The importance of structural diversity in the discovery of new therapeutics.
  • How modifications to the core structure can affect biological activity.

Quotes from researchers highlight the journey of such compounds in the pharmaceutical landscape: "The path from laboratory synthesis to clinical application is complex yet immensely rewarding."

Conclusion

With its multifaceted structure and potential biological implications, 4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate represents an exciting convergence of chemistry and medicine, sparking ongoing research into its significance in modern pharmacology.

Synonyms
CHEMBL130321
[4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
5-isoquinolinesulfonic acid [4-[2-[5-isoquinolinylsulfonyl(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl] ester
BiomolKI_000040
BiomolKI2_000048
BMK1-E4
BSPBio_001181
KBioGR_000521
KBioSS_000521
SCHEMBL1982403
CHEBI:91888
KBio2_000521
KBio2_003089
KBio2_005657
KBio3_000941
KBio3_000942
BRD7136
DTXSID70925812
Bio2_000421
Bio2_000901
HMS1362K03
HMS1792K03
HMS1990K03
HMS3372C10
HMS3403K03
HMS3653I22
HMS3673M13
HMS3753M11
BRD-7136
BDBM50135426
CCG-100644
IDI1_002176
NCGC00163381-01
NCGC00163381-02
NCGC00163381-03
NCGC00163381-04
4-[2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
LS-15403
DB-062566
BRD-A81177136-001-04-4
BRD-A81177136-001-12-7
Q27163685
4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenylisoquinolinesulfonicacidester
4-{2-[(Isoquinoline-5-sulfonyl)(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl}phenyl isoquinoline-5-sulfonate
Isoquinoline-5-sulfonic acid 4-[2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-3-(4-phenyl-piperazin-1-yl)-propyl]-phenyl ester