805246-31-5 Usage
Chemical class
Benzindole derivatives
A group of compounds derived from benzindole, which is a core structure in many biologically active molecules.
Molecular structure
Hexahydro derivative
A saturated hydrocarbon with six hydrogen atoms added to the benzindole core, making it more stable and less reactive.
Substituents
Methoxy and methyl groups
Methoxy (-OCH3)
A functional group consisting of an oxygen atom and a methyl group, which can influence the compound's polarity and solubility.
Methyl (-CH3)
A simple alkyl group with one carbon atom and three hydrogen atoms, which can affect the compound's steric properties and reactivity.
Position of substituents
6th and 1st positions
The methoxy group is attached to the 6th position, while the methyl group is at the 1st position on the benzindole core, defining the compound's structure and properties.
Stereochemistry
(3aR,9bS)-rel-(9CI)
(3aR)
The 3a position has a right-handed configuration (R) in the stereochemical arrangement.
(9bS)
The 9b position has a left-handed configuration (S) in the stereochemical arrangement.
rel-(9CI)
The stereochemistry is described using the Cahn-Ingold-Prelog priority rules and is based on the IUPAC nomenclature system.
Potential applications
Medicinal and chemical fields
Due to its unique structure and properties, the compound may have various applications in the development of pharmaceuticals, agrochemicals, or other chemical products. Further research is needed to explore and understand its full potential.
Check Digit Verification of cas no
The CAS Registry Mumber 805246-31-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,0,5,2,4 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 805246-31:
(8*8)+(7*0)+(6*5)+(5*2)+(4*4)+(3*6)+(2*3)+(1*1)=145
145 % 10 = 5
So 805246-31-5 is a valid CAS Registry Number.
805246-31-5Relevant academic research and scientific papers
Bolognesi, Maria Laura,Bartolini, Manuela,Cavalli, Andrea,Andrisano, Vincenza,Rosini, Michela,Minarini, Anna,Melchiorre, Carlo
, p. 5945 - 5952 (2004)
Rivastigmine (1), an acetylcholinesterase (AChE) inhibitor approved in 2000 for the treatment of Alzheimer disease, bears a carbamate moiety in its structure, which is able to react covalently with the active site of the enzyme. Kinetic and structural stu
Catalytic Enantioselective Bromoaminocyclization and Bromocycloetherification
Wang, Haitao,Zhong, Haijing,Xu, Xi,Xu, Wei,Jiang, Xiaojian
, p. 5358 - 5362 (2020/10/15)
We apply a chiral anionic phase-transfer system for the catalytic asymmetric bromoaminocyclization and bromocycloetherification of momo-functional benzo-cyclic alkenes. Various brominated tricyclic benzo-heterocycles were produced with up to 99% yields and 99% enantiomeric excess. The resulting enantioenriched hexahydro-benzoindoles are key building blocks of bioactive molecules. (Figure presented.).
Heterocyclic inhibitors of AChE acylation and peripheral sites
Bolognesi, Maria Laura,Andrisano, Vincenza,Bartolini, Manuela,Cavalli, Andrea,Minarini, Anna,Recanatini, Maurizio,Rosini, Michela,Tumiatti, Vincenzo,Melchiorre, Carlo
, p. 465 - 473 (2007/10/03)
Notwithstanding the criticism to the so called "cholinergic hypothesis", the therapeutic strategies for the treatment of Alzheimer's disease (AD) have been mainly centered on the restoration of cholinergic functionality and, until the last year, the only
