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GSK2190915

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Identification
Molecular formula
C24H23NO2S
CAS number
1197397-89-6
IUPAC name
ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate
State
State

GSK2190915 is in a solid state at room temperature, typically appearing as a powder.

Melting point (Celsius)
191.50
Melting point (Kelvin)
464.70
Boiling point (Celsius)
480.80
Boiling point (Kelvin)
754.00
General information
Molecular weight
394.52g/mol
Molar mass
394.4940g/mol
Density
1.1543g/cm3
Appearence

GSK2190915 is typically a white to off-white solid.

Comment on solubility

Solubility of Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate

Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate, with the chemical formula C24H23NO2S, presents an intriguing profile with regards to its solubility characteristics. Here are key factors to consider:

  • Polar vs Nonpolar Solvents: Due to its structure that includes both a pyridine ring and a thiochroman moiety, it is likely that this compound exhibits different solubility in polar and nonpolar solvents.
  • Solubility in Organic Solvents: Compounds with large nonpolar regions tend to dissolve well in nonpolar solvents like hexane or chloroform, while the presence of polar functional groups allows for some solubility in polar solvents such as methanol or dimethyl sulfoxide (DMSO).
  • Influence of Ethyl Group: The ethyl ester functional group could enhance solubility in organic solvents, potentially making the compound more amenable to organic reactions.

In summary, while specific solubility data may not be readily available, the structural features of ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate hint at a nuanced solubility profile influenced by solvent type. Generally, one might expect that:

  1. It is soluble in nonpolar organic solvents.
  2. It may exhibit limited solubility in water.
  3. It is likely partially soluble in polar organic solvents.

Further experimental assessments are necessary to conclusively define the solubility characteristics of this compound in various solvents.

Interesting facts

Interesting Facts about Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate

Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate, often referred to in the context of organic synthesis and medicinal chemistry, showcases an intriguing combination of functional groups and molecular design. This compound is particularly notable due to its potential applications in various fields:

  • Bioactivity: Compounds containing pyridine rings are known for their biological activities. This compound could serve as a scaffold for drug development, with potential anticancer or antimicrobial properties.
  • Thiochroman Moiety: The inclusion of a thiochroman structure enhances the compound's chemical diversity, offering opportunities for the creation of novel derivatives with unique properties.
  • Alkynyl Group: This feature is integral in synthetic chemistry, often utilized in cross-coupling reactions, which are essential for building complex molecules.

Furthermore, the versatility of the ethyl ester functional group includes:

  • Reactivity: The ester can readily participate in hydrolysis and transesterification, making it a useful building block in organic synthesis.
  • Solubility Tuning: The ethyl group can enhance solubility, which is important for pharmaceutical applications where bioavailability is a key consideration.

As stated by chemists, "The beauty of organic chemistry lies in the vastness of possibilities that arise from a simple structural modification." This compound exemplifies that ethos, offering a rich ground for exploration and innovation in chemical research.

Synonyms
tazarotene
118292-40-3
Tazorac
Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate
Zorac
Avage
AGN-190168
Fabior
tazaroteno
tazarotenum
AGN 190168
Tazarotene-d8
Tazarotene (Avage)
UNII-81BDR9Y8PS
Idp-123
81BDR9Y8PS
ARAZLO
DTXSID5046691
CHEBI:32184
MFCD00867628
3-Pyridinecarboxylic acid, 6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-, ethyl ester
CHEMBL1657
ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate
ethyl 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylate
DTXCID3026691
ethyl 6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate
DUOBRII COMPONENT TAZAROTENE
IDP-118 COMPONENT TAZAROTENE
NCGC00167525-01
ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]nicotinate
TAZAROTENE (MART.)
TAZAROTENE [MART.]
1246815-76-8
ethyl 6-[(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinate
C21H21NO2S
Suretin
Tazoral
Zora
6-(4,4-Dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester
Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate;6-(4,4-dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester
Tazorac (TN)
Avage (TN)
CAS-118292-40-3
Acnitaz
ethyl 6-(2-(4,4-dimethylthiochroman-6-yl)-ethynyl)nicotinate
Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)-ethynyl]nicotinate
Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinate
Tazarotene (JAN/USAN/INN)
Tazarotene [USAN:INN:BAN]
Tazarotene Cream
ethyl 6-((4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl)nicotinate
Tazarotene,(S)
AGN190168
Fabior (TN)
Tazarotene (Standard)
TAZAROTENE [MI]
TAZAROTENE [INN]
TAZAROTENE [JAN]
TAZAROTENE [USAN]
TAZAROTENE [VANDF]
SCHEMBL3134
TAZAROTENE [WHO-DD]
MLS003915630
BIDD:GT0293
GTPL6952
Tazarotene - Bio-X trade mark
TAZAROTENE [ORANGE BOOK]
D05AX05
HMS3655K05
HMS3747C19
HMS3747E19
BCP22966
ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl] nicotinate
WZB81576
Tox21 112522
Tox21_112522
AC-755
BDBM50265951
HY-15388R
s1569
AKOS015902872
TAZAROTENE COMPONENT OF DUOBRII
Tox21_112522_1
BS-1012
CCG-268046
CS-1029
DB00799
FT28011
NCGC00167525-02
NCGC00167525-03
6-[(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester
6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]- 3-pyridinecarboxylic Acid Ethyl Ester
6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester
BT164442
HY-15388
SMR002096194
SY053169
BCP0726000163
DB-014992
NS00006771
SW220026-1
T3108
AGN190168, AGN-190168
D01132
AB01274801-01
AB01274801_02
SR-01000931253
Q3981685
SR-01000931253-2
BRD-K76841105-001-04-7
Z1424590960
Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate
6-(4,4-dimethylthiochroman-6-ylethynyl) nicotinic acid ethyl ester
6-(2-(4,4-dimethyl-thiochroman-6yl)ethynyl)-nicotinic acid ethyl ester
Ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate
6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-3-Pyridinecarboxylic Acid, Ethyl Ester
6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester;AGN 190168
6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylicacidethylester