805250-11-7 Usage
Molecular Weight
278.31 g/mol
Functional Groups
Carboxylic acid, ester, benzoxepin, tetrahydro, and hydroxy
Structural Features
Benzoxepin-4-carboxylic acid core
Tetrahydro-8-hydroxy group
Ethyl ester side chain
Potential Applications
Pharmaceutical (requires further research and investigation)
Solubility
Likely soluble in organic solvents such as ethanol, methanol, and acetone (based on similar compounds)
Stability
May be sensitive to heat, light, and moisture (common for compounds with hydroxy and ester groups)
Reactivity
Could react with nucleophiles, acids, and bases (due to the presence of carboxylic acid and ester functional groups)
Synthesis
Likely synthesized through a multi-step process involving the formation of the benzoxepin core, followed by reduction, hydroxylation, and esterification
Analytical Techniques
NMR, IR, and mass spectrometry can be used to analyze and confirm the structure of the compound
Safety Precautions
Use appropriate personal protective equipment (gloves, goggles, lab coat) and handle in a well-ventilated area or fume hood to minimize exposure risks
Environmental Impact
The environmental impact of 1-Benzoxepin-4-carboxylic acid, 2,3,4,5-tetrahydro-8-hydroxy-, ethyl
ester is not well-known, but it is important to consider proper disposal and containment methods to minimize potential harm to the environment
Biological Activity
Further research is needed to determine the compound's interaction with biological systems and its potential therapeutic effects or side effects
Structural Analogs
Other benzoxepin-based compounds with different functional groups or substitutions may have different properties and applications, warranting further investigation.
Check Digit Verification of cas no
The CAS Registry Mumber 805250-11-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,0,5,2,5 and 0 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 805250-11:
(8*8)+(7*0)+(6*5)+(5*2)+(4*5)+(3*0)+(2*1)+(1*1)=127
127 % 10 = 7
So 805250-11-7 is a valid CAS Registry Number.
805250-11-7Relevant academic research and scientific papers
Identification of fused-ring alkanoic acids with improved pharmacokinetic profiles that Act as G protein-coupled receptor 40/free fatty acid receptor 1 agonists
Negoro, Nobuyuki,Sasaki, Shinobu,Ito, Masahiro,Kitamura, Shuji,Tsujihata, Yoshiyuki,Ito, Ryo,Suzuki, Masami,Takeuchi, Koji,Suzuki, Nobuhiro,Miyazaki, Junichi,Santou, Takashi,Odani, Tomoyuki,Kanzaki, Naoyuki,Funami, Miyuki,Tanaka, Toshimasa,Yasuma, Tsuneo,Momose, Yu
, p. 1538 - 1552 (2012/04/10)
The G protein-coupled receptor 40 (GPR40)/free fatty acid receptor 1 (FFA1) has emerged as an attractive target for a novel insulin secretagogue with glucose dependency. We previously identified phenylpropanoic acid derivative 1 (3-{4-[(2′,6′-dimethylbiphenyl-3-yl)methoxy]-2-fluorophenyl} propanoic acid) as a potent and orally available GPR40/FFA1 agonist; however, 1 exhibited high clearance and low oral bioavailability, which was likely due to its susceptibility to β-oxidation at the phenylpropanoic acid moiety. To identify long-acting compounds, we attempted to block the metabolically labile sites at the phenylpropanoic acid moiety by introducing a fused-ring structure. Various fused-ring alkanoic acids with potent GPR40/FFA1 activities and good PK profiles were produced. Further optimizations of the lipophilic portion and the acidic moiety led to the discovery of dihydrobenzofuran derivative 53 ((6-{[4′-(2-ethoxyethoxy)-2′,6′-dimethylbiphenyl-3-yl]methoxy} -2,3-dihydro-1-benzofuran-3-yl)acetic acid), which acted as a GPR40/FFA1 agonist with in vivo efficacy during an oral glucose tolerance test (OGTT) in rats with impaired glucose tolerance.
