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Clopirac

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Identification
Molecular formula
C14H13ClN4O2S
CAS number
7004-92-0
IUPAC name
2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
State
State

At room temperature, Clopirac is typically in a solid state.

Melting point (Celsius)
200.00
Melting point (Kelvin)
473.15
Boiling point (Celsius)
429.00
Boiling point (Kelvin)
702.15
General information
Molecular weight
363.84g/mol
Molar mass
363.8570g/mol
Density
1.3472g/cm3
Appearence

Clopirac appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid

The solubility of 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid (C14H13ClN4O2S) can be influenced by various factors, making it an intriguing compound to study. Its solubility characteristics can be summarized as follows:

  • Polarity: Due to the presence of polar functional groups such as the carboxylic acid and sulfonyl moieties, the compound is likely to exhibit enhanced solubility in polar solvents like water.
  • Hydrogen Bonding: The ability to form hydrogen bonds with water molecules may further increase its solubility, especially in aqueous environments.
  • Effect of Substituents: The inclusion of chlorine and dimethylamino groups can alter the electronic properties of the molecule, potentially impacting its solubility in organic solvents.

In practice, it is essential to consider the following regarding its solubility:

  1. The compound may have limited solubility in non-polar solvents due to its polar functional groups.
  2. In contrast, it may be more soluble in acidic or basic conditions, leveraging pH adjustment.
  3. Experimental data would provide a more definitive understanding of its solubility profile across various solvents.

As stated, "the solubility of a compound is a key factor that influences its biological activity and application in drug designs." Therefore, understanding the solubility of 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid can open doors to its practical applications in medicinal chemistry and other fields.

Interesting facts

Explore the World of 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid

2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid is a fascinating compound that blends the realms of organic chemistry and medicinal applications. This compound contains a pyrimidine ring, a key structure in numerous biologically active molecules, which is known for its ability to interact with biological systems.

Key Features:

  • Diverse Applications: This compound holds potential in drug design, particularly in targeting specific enzymes or receptors due to its heterocyclic structure.
  • Chlorinated Component: The presence of a chlorine atom enhances its reactivity, making it a valuable scaffold for further chemical modifications.
  • Dimethyl Aniline Influence: The 2,3-dimethylaniline moiety contributes to the compound's biological activity and can significantly alter its pharmacokinetics.

As the field of medicinal chemistry continues to evolve, compounds like this serve as vital research tools. Researchers often quote the synergy of structure and activity: "The structure of a molecule defines its reactivity and interaction with biological systems." This statement rings especially true for complex compounds such as 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid, where small modifications can lead to significant changes in biological response.

In summary, the intricate design of this compound exemplifies how nature and synthetic practices intertwine to create potentially transformative therapeutic agents, marking its relevance in ongoing research in pharmaceutical chemistry.

Synonyms
Pirinixic acid
50892-23-4
WY-14643
[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
Wy 14643
Wyeth 14,643
WY-14,643
WY14643
Acido pirinixico
Acide pirinixique
Pirinixic acid [INN]
WY-14643 (Pirinixic Acid)
(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid
Acidum pirinixicum
NSC-310038
CCRIS 133
Acide pirinixique [INN-French]
Acido pirinixico [INN-Spanish]
Acidum pirinixicum [INN-Latin]
NSC310038
NSC 310038
BRN 0759945
86C4MRT55A
DTXSID4020290
CHEBI:32509
HSDB 8056
((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid
Acetic acid, ((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-
MFCD00191335
ACETIC ACID, ((4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIO)-
CHEMBL295416
2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
5-25-12-00458 (Beilstein Handbook Reference)
({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-
NCGC00014702-03
((4-Chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)acetic acid
2-((4-Chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)thio)acetic acid
2-({4-Chloro-6-[(2,3-Dimethylphenyl)amino]pyrimidin-2-Yl}sulfanyl)acetic Acid
Wyeth-14,643
DTXCID00290
CXPTA
C14H14ClN3O2S
Acide pirinixique (INN-French)
Acido pirinixico (INN-Spanish)
Acidum pirinixicum (INN-Latin)
(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid
Wyeth-14643
({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}thio)acetic acid
[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-acetic acid
[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid
2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid
CAS-50892-23-4
SR-01000597401
UNII-86C4MRT55A
WY14,643
pirinixic-acid
Pirnixic acid
WY 14,643
((4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)sulfanyl)acetic acid
2-(4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)sulfanylacetic acid
WY1
4-chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid
Tocris-1312
4-chloro-6-(2,3-dimethylphenyl)amino-2-pyrimidinylthioacetic acid
Spectrum5_001947
NCIStruc1_001774
NCIStruc2_001509
CBiol_001856
BSPBio_001540
KBioGR_000260
KBioGR_002353
KBioSS_000260
KBioSS_002356
JMC515449 Compound 1
MLS004773935
SCHEMBL293161
SPECTRUM1505106
WY-14643; Pirinixic Acid
BML2-E12
GTPL2666
WY 14643 (Pirinixic Acid)
WY14643 (Pirinixic Acid)?
BDBM24566
KBio2_000260
KBio2_002353
KBio2_002828
KBio2_004921
KBio2_005396
KBio2_007489
KBio3_000519
KBio3_000520
KBio3_002832
cMAP_000028
Bio1_000142
Bio1_000631
Bio1_001120
Bio2_000260
Bio2_000740
HMS1361M22
HMS1791M22
HMS1989M22
HMS3267N11
HMS3402M22
HMS3412G06
HMS3649C12
HMS3653N21
HMS3676G06
BCP21201
EX-A2258
Tox21_110058
Tox21_201609
Tox21_300634
CCG-37145
NCGC00014702
NCI310038
s8029
AKOS015902283
Tox21_110058_1
CS-4661
ES-0025
FW75167
SB19568
IDI1_034010
NCGC00014702-02
NCGC00014702-04
NCGC00014702-05
NCGC00014702-06
NCGC00014702-07
NCGC00014702-08
NCGC00014702-09
NCGC00014702-10
NCGC00014702-11
NCGC00014702-12
NCGC00014702-15
NCGC00014702-17
NCGC00025107-01
NCGC00025107-02
NCGC00025107-03
NCGC00025107-04
NCGC00025107-05
NCGC00025107-06
NCGC00025107-07
NCGC00025107-08
NCGC00254449-01
NCGC00259158-01
AC-31440
HY-16995
NCI60_002666
SMR001798898
DB-051855
NS00015649
SW203787-2
Acetic acid,3-xylidino)-2-pyrimidinyl]thio]-
C75388
Q7198008
SR-01000597401-1
SR-01000597401-3
SR-01000597401-4
SR-01000597401-6
BRD-K01902415-001-02-6
BRD-K01902415-001-03-4
BRD-K01902415-001-10-9
BRD-K01902415-001-11-7
Acetic acid,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-
[4-chloro-6-(2,3-xylidino)-2-pyrimidinyl-thio]-acetic acid
((4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl)thio)acetic acid
([4-Chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]sulfanyl)acetic acid #
[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]aceticacid
[4-Chloro-6-(2,3-dimethyl-phenylamino)-pyrimidin-2-ylsulfanyl]-acetic acid
2-((4-Chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)thio)aceticacid
2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)acetic acid
Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-
[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-acetic acid; NSC 310038; Pirinixic acid; Pirnixic acid; WY-14643
621-657-5