Skip to main content

Not applicable

ADVERTISEMENT
Identification
Molecular formula
C17H10BrFN2O3
CAS number
864082-47-3
IUPAC name
2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid
State
State

At room temperature, this compound is typically found in a solid state, often as a crystalline powder or small crystals.

Melting point (Celsius)
262.00
Melting point (Kelvin)
535.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
387.18g/mol
Molar mass
387.2030g/mol
Density
1.6680g/cm3
Appearence

The compound typically appears as a crystalline solid that might be yellowish in color. The crystals can be fine and may appear slightly off-white depending on impurities or specific crystalline form.

Comment on solubility

Solubility of 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid (C17H10BrFN2O3)

The solubility of this compound, known for its complex structure, is influenced by various factors such as its molecular composition and the presence of functional groups. Here are some key points to consider:

  • Polar and Nonpolar Interactions: The compound contains functional groups such as carboxylic acid (-COOH) which are generally polar and can enhance solubility in polar solvents like water.
  • Halogen Atoms' Impact: The presence of bromine and fluorine atoms typically contributes to its overall hydrophobic character, which may limit its solubility in water.
  • Chemical Environment: Solubility can greatly vary with changes in pH. For instance, in acidic conditions, the carboxylic acid can remain protonated, affecting solubility.
  • Solvent Choice: This compound may exhibit better solubility in organic solvents such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF) due to its larger, nonpolar aromatic features.

In conclusion, while 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid may possess some polar characteristics due to its carboxylic acid group, its overall solubility is likely to be limited in water, requiring careful selection of solvents for effective use in experimental or industrial applications.

Interesting facts

Interesting Facts about 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid

This compound is a unique member of the phthalazinone class and demonstrates fascinating features that highlight its potential in various applications. Here are some interesting points:

  • Complex Structure: The intricate structure of this compound, which includes a phthalazinone moiety and a phenyl group with halogen substitutions, showcases the diversity of functional groups that can lead to potentially interesting biological activities.
  • Biological Relevance: Compounds like this one are often of considerable interest in medicinal chemistry. Their structural complexity might lend to unique mechanisms of action, making them potential candidates for drug development.
  • Halogen Substitution: The presence of bromine and fluorine atoms is significant in organic chemistry. These halogens can enhance a compound’s lipophilicity and reactivity, which may influence its pharmacokinetic properties and biological activity.
  • Acetic Acid Functional Group: The incorporation of the acetic acid moiety suggests potential for carboxylic acid interactions, which can play a critical role in bonding with biological targets, opening pathways for various chemical reactions.
  • Research Applications: Researchers employ such compounds in various fields, including but not limited to, drug design, synthesis of new therapeutic agents, and studying action mechanisms of diseases.

In summary, 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid illustrates the sophisticated architecture of complex organic molecules, underscoring the ongoing importance of such compounds in the frontiers of chemical research and pharmaceutical development.

Synonyms
PONALRESTAT
statil
72702-95-5
2-(3-(4-bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid
ICI-128436
ICI 128,436
2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
CHEMBL7679
1-Phthalazineaceticacid, 3-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-4-oxo-
2CV0A5G64E
DTXSID1045665
3-(4-Bromo-2-fluorobenzyl)-3,4-dihydro-4-oxo-1-phthalazineacetic acid
NCGC00024824-01
1-Phthalazineacetic acid, 3-((4-bromo-2-fluorophenyl)methyl)-3,4-dihydro-4-oxo-
Ponalrestatum [Latin]
Ponalrestatum
C17H12BrFN2O3
UNII-2CV0A5G64E
Prodiax
Ponalrestat [USAN:INN:BAN]
MFCD00204117
Ponalrestat (statil)
MK-538;Statil
Spectrum_001483
STATIL?
Tocris-0847
SpecPlus_000843
Spectrum2_001467
Spectrum3_001048
Spectrum4_001188
PONALRESTAT [INN]
Ponalrestat (USAN/INN)
PONALRESTAT [USAN]
PONALRESTAT [MART.]
SCHEMBL49154
BSPBio_002576
KBioGR_001855
KBioSS_001963
MLS006010794
DivK1c_006939
SPBio_001393
DTXCID9025665
Ponalrestat - Bio-X trade mark
CHEBI:93199
KBio1_001883
KBio2_001963
KBio2_004531
KBio2_007099
KBio3_001796
LKBFFDOJUKLQNY-UHFFFAOYSA-N
Bio1_000383
Bio1_000872
Bio1_001361
GLXC-04847
HMS3266J22
HMS3411P11
BCP13896
Tox21_110930
BDBM50009777
CCG-39192
MK-538
[3-(4-BROMO-2-FLUOROBENZYL)-4-OXO-3H-PHTHALAZIN-1-YL]ACETIC ACID
AKOS026750310
NCGC00024824-02
AC-38048
AS-35325
BP300109
DA-78035
FP102755
SMR004701478
CAS-72702-95-5
HY-106697
CS-0026367
NS00123180
D03806
SR-01000597455
SR-01000597455-1
BRD-K68332390-001-02-5
BRD-K68332390-001-03-3
Q27164918
2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetic acid
(ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid
[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid(ponalrestat)
[3-(4-BROMO-2-FLUOROBENZYL)-4-OXO-3H-PHTHALAZIN-1-YL]ACETIC ACID (STATIL)
1-Phthalazineaceticacid,3-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-4-oxo-
2-{3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetic acid