549506-83-4 Usage
Chemical structure
The compound consists of an azepine ring structure attached to an acetamide group, a hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino] side chain, and a 2-thiazolylcarbonyl functional group.
Stereochemistry
The (3S) designation indicates the stereochemistry of the compound, which refers to the three-dimensional arrangement of atoms in the molecule.
Functional groups
The compound contains several functional groups, including an acetamide group, a hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino] side chain, and a 2-thiazolylcarbonyl functional group.
Structural complexity
The compound has a complex structure due to the presence of multiple functional groups and the stereochemistry of the molecule.
Potential applications
Due to its structural complexity and various functional groups, this chemical may have potential applications in the pharmaceutical industry. It could potentially interact with biological systems through interactions with receptors or enzymes.
Molecular weight
The molecular weight of the compound is approximately 470.63 g/mol.
Stability
The stability of the compound under different conditions (e.g., temperature, pH, etc.) is not provided in the material, but it may be influenced by the presence of various functional groups and the stereochemistry of the molecule.
Synthesis
The synthesis of the compound is not described in the material, but it likely involves multiple steps and the formation of various functional groups and the azepine ring structure.
Check Digit Verification of cas no
The CAS Registry Mumber 549506-83-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,4,9,5,0 and 6 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 549506-83:
(8*5)+(7*4)+(6*9)+(5*5)+(4*0)+(3*6)+(2*8)+(1*3)=184
184 % 10 = 4
So 549506-83-4 is a valid CAS Registry Number.
549506-83-4Relevant academic research and scientific papers
Design, synthesis, and structure-activity relationships of unsubstituted piperazinone-based transition state factor Xa inhibitors
Huang, Wenrong,Naughton, Mary Ann,Yang, Hua,Su, Ting,Dam, Suiko,Wong, Paul W.,Arfsten, Ann,Edwards, Susan,Sinha, Uma,Hollenbach, Stanley,Scarborough, Robert M.,Zhu, Bing-Yan
, p. 723 - 728 (2007/10/03)
A series of novel transition state factor Xa inhibitors containing a variety of lactam ring systems as central templates was synthesized in an expedient manner and allowed for a great deal of structural variability. Among them, the piperazinone-based inhibitors were found to be not only active against factor Xa but also selective over thrombin. Optimization of the P4 moiety yielded several potent compounds with IC50 below 1 nM against factor Xa.
