868551-85-3 Usage
Chemical structure
A complex organic compound with multiple functional groups, including a carboxylic acid group, a fluorobenzyl group, and a tetrahydro-2H-pyran-4-yloxy methyl group.
Class of compound
A pyrrolopyridine derivative, which is a class of heterocyclic compounds.
Potential applications
The compound may have potential pharmaceutical or biological activity due to its multiple functional groups that are commonly found in drugs and bioactive molecules.
Further study needed
The specific properties and potential uses of 1-(4-fluorobenzyl)-3-[(tetrahydro-2H-pyran-4-yloxy)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid would depend on its pharmacological and pharmacokinetic characteristics, which would need to be studied further in order to fully understand its potential applications.
Molecular weight
403.42 g/mol
Appearance
The compound is likely to be a solid, based on its molecular weight and complexity.
Solubility
The compound may be soluble in organic solvents such as methanol, ethanol, or dimethyl sulfoxide (DMSO), but its solubility in water is not known.
Stability
The stability of the compound under different conditions (e.g., temperature, pH, light exposure) is not known and would need to be studied further.
Synthesis
The compound can be synthesized through various chemical reactions, likely involving the formation of the pyrrolopyridine core and subsequent functionalization with the fluorobenzyl and tetrahydro-2H-pyran-4-yloxy methyl groups.
Purity
The purity of the compound would depend on the specific synthetic route used and the purification methods employed.
Analytical techniques
Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and elemental analysis could be used to characterize and confirm the structure of the compound.
Safety and handling
As with any chemical, appropriate safety precautions should be taken when handling 1-(4-fluorobenzyl)-3-[(tetrahydro-2H-pyran-4-yloxy)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid, including the use of personal protective equipment (PPE) and working in a well-ventilated area or fume hood. The compound's toxicity and potential hazards are not known and would need to be evaluated.
Check Digit Verification of cas no
The CAS Registry Mumber 868551-85-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,8,5,5 and 1 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 868551-85:
(8*8)+(7*6)+(6*8)+(5*5)+(4*5)+(3*1)+(2*8)+(1*5)=223
223 % 10 = 3
So 868551-85-3 is a valid CAS Registry Number.
868551-85-3Relevant academic research and scientific papers
Azaindole N-methyl hydroxamic acids as HIV-1 integrase inhibitors-II. the impact of physicochemical properties on ADME and PK
Tanis, Steven P.,Plewe, Michael B.,Johnson, Ted W.,Butler, Scott L.,Dalvie, Deepak,Delisle, Dorothy,Dress, Klaus R.,Hu, Qiyue,Huang, Buwen,Kuehler, Jon E.,Kuki, Atsuo,Liu, Wen,Peng, Qinghai,Smith, Graham L.,Solowiej, Jim,Tran, Khanh T.,Wang, Hai,Yang, Anle,Yin, Chunfeng,Yu, Xiaoming,Zhang, Junhu,Zhu, Huichun
supporting information; experimental part, p. 7429 - 7434 (2011/02/26)
HIV-1 integrase is one of three enzymes encoded by the HIV genome and is essential for viral replication, and HIV-1 IN inhibitors have emerged as a new promising class of therapeutics. Recently, we reported the discovery of azaindole hydroxamic acids that
