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Celecoxib

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Identification
Molecular formula
C17H14F3N3O2S
CAS number
169590-42-5
IUPAC name
N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide
State
State

At room temperature, Celecoxib is in a solid state, specifically as a powder.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
947.10
Boiling point (Kelvin)
1 220.25
General information
Molecular weight
381.37g/mol
Molar mass
381.3740g/mol
Density
1.1090g/cm3
Appearence
Celecoxib is typically a white to off-white powder. It is crystalline in nature and may appear as fine, needle-like crystals.
Comment on solubility

Solubility of N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide

The solubility of N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide in various solvents presents a unique aspect characterized by distinct features.

One should consider the following factors that affect solubility:

  • Polarity: The presence of polar functional groups, such as the carboxamide and sulfamoyl moieties, suggests that the compound may exhibit better solubility in polar solvents like water.
  • Hydrogen Bonding: The ability of this compound to engage in hydrogen bonding may enhance its solubility in protic solvents.
  • Hydrophobic Interactions: The azepane and isoxazole rings may introduce hydrophobic characteristics, potentially diminishing its solubility in highly polar environments.

It is important to note that solubility can vary significantly based on temperature, and alterations in pH can also impact the ionization state of the amide group resulting in changes in solubility behavior.

In practice, researchers should examine empirical solubility data for N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide to understand its behavior in different media. Overall, its solubility profile is influenced by the interplay of its functional groups and molecular structure.

Interesting facts

Interesting Facts About N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide

N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide, a complex organic compound, presents a fascinating area of study for both chemists and pharmacologists. Here are some noteworthy points:

  • Biological Significance: This compound is associated with various biological activities, and research indicates its potential therapeutic uses, particularly in the fields of neurology and oncology.
  • Structural Complexity: The structure of this compound includes an isoxazole ring, which is a five-membered heterocyclic structure that contributes to its activity and solubility characteristics.
  • Potential Drug Development: Scientists are actively exploring derivatives of such compounds for drug development due to their unique interactions with biological targets.
  • Mechanism Exploration: The incorporation of a sulfamoyl group enhances its ability to interact with specific enzymes, making it a candidate for studies on drug mechanisms.
  • Synthetic Challenges: The synthesis of this compound involves multiple steps and may require advanced techniques in organic synthesis, making it an intriguing challenge for chemists.

As researchers delve deeper into the properties and potential applications of this compound, it reminds us of the endless possibilities that lie within the realm of chemical compounds, emphasizing the connection between chemistry and health.

"Each compound has its own story, waiting to be understood."

Synonyms
Glisoxepide
Glisoxepid
25046-79-1
Glisoxepida
Glisoxepidum
Bay B 4231
FBB 4231
RP 22410
H7SC0I332I
DTXSID9023097
BAY-B-4231
FBB-4231
RP-22410
DTXCID803097
N-(2-(4-((((azepan-1-yl)carbamoyl)amino)sulfonyl)phenyl)ethyl)-5-methyl-1,2-oxazole-3-carboxamide
N-{2-[4-({[(azepan-1-yl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-5-methyl-1,2-oxazole-3-carboxamide
RefChem:143393
A10BB11
246-579-5
4-(4-beta-(5-methylisoxazol-3-carboxamidoethyl)phenylsulfonyl)-1,1-hexamethylenesemicarbazide
BS-4231
Glisepin
N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Glisoxepide (INN)
Pro-Diaban
1-(Hexahydro-1H-azepin-1-yl)-3-((p-(2-(5-methyl-3-isoxazolecarboxamido)ethyl)phenyl)sulfonyl)urea
NCGC00159475-02
Glisoxepida [INN-Spanish]
Glisoxepida [Spanish]
GLISOXEPIDE [INN]
Glisoxepidum [INN-Latin]
Glisoxepide [INN:BAN:DCF]
BS 4231
C20H27N5O5S
EINECS 246-579-5
BRN 0592109
UNII-H7SC0I332I
GLISOXEPID [MI]
GLISOXEPIDE [MART.]
SCHEMBL48892
GLISOXEPIDE [WHO-DD]
orb1707268
CHEMBL2106618
CHEBI:135731
ZKUDBRCEOBOWLF-UHFFFAOYSA-N
HY-A0176
Tox21_111699
MSK177662
AKOS022185029
DB01289
FG61382
N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide
3-Isoxazolecarboxamide, N-(2-(4-(((((hexahydro-1H-azepin-1-yl)amino)carbonyl)amino)sulfonyl)phenyl)ethyl)-5-methyl-
DA-53578
N-{2-[4-({[(azepan-1-ylamino)carbonyl]amino}sulfonyl)phenyl]ethyl}-5-methylisoxazole-3-carboxamide
CAS-25046-79-1
CS-0017517
NS00010199
D07118
Q5569932
Glisoxepide;Pro-Diaban;4-[4-[b-(5-Methylisoxazole-3-carboxamido)ethyl] phenylsulfonyl]-1,1-hexamethylenesemicarbazide