113045-95-7 Usage
Molecular weight
449.46 g/mol The relative molecular mass of the compound, based on the atomic weights of the elements present.
Structure
Heterocyclic The compound has a complex structure containing both aromatic rings and non-aromatic heterocyclic rings (thiazeto and piperazine).
Core structure
Thiazetoquinoline The central core of the compound consists of a [1,3]thiazole fused to a quinoline ring.
Carboxylic acid functional group
The compound contains a carboxylic acid group (-COOH) attached to the thiazetoquinoline core.
Ethyl ester moiety
-OOCCH3 An ethyl ester group (-OOCCH3) is present in the compound, which is an ester derivative of the carboxylic acid group.
Fluoro substitution
6th position A fluorine atom is substituted at the 6th position of the quinoline ring, which may influence the compound's pharmacological properties.
Piperazinyl group
7th position A 1-piperazinyl group is present at the 7th position of the thiazetoquinoline core, which is a common feature in many pharmaceutical compounds and may contribute to the compound's pharmacological activity.
Potential pharmacological properties
The unique structure of 1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid,
6-fluoro-4-oxo-1-phenyl-7-(1-piperazinyl)-, ethyl ester may make it of interest for medicinal and pharmaceutical research, as it could exhibit biological activity or serve as a lead compound for drug development.
Check Digit Verification of cas no
The CAS Registry Mumber 113045-95-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,0,4 and 5 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 113045-95:
(8*1)+(7*1)+(6*3)+(5*0)+(4*4)+(3*5)+(2*9)+(1*5)=87
87 % 10 = 7
So 113045-95-7 is a valid CAS Registry Number.
113045-95-7Relevant academic research and scientific papers
STUDIES ON PYRIDONECARBOXYLIC ACIDS. 1. SYNTHESIS AND ANTIBACTERIAL EVALUATION OF 7-SUBSTITUTED-6-HALO-4-OXO-4H-THIAZETOQUINOLINE-3-CARBOXYLIC ACIDS
Segawa, Jun,Kitano, Masahiko,Kazuno, Kenji,Matsuoka, Masato,Shirahase, Ichiro,et al.
, p. 4727 - 4738 (2007/10/02)
A series of thiazetoquinoline-3-carboxylic acids and their esters were prepared and evaluated for antibacterial activity.The derivatives with a hydrogen or methyl group at C-1, fluorine at C-6, and piperazinyl or 4-methyl-1-piperazinyl group at C-7 showed superior in vitro antibacterial activity, and the derivatives with 4-methyl-1-piperazinyl group at C-7 had potent in vivo activity.Compound 29a (NM394) showed excellent in vitro antibacterial activity and low toxicity but poor absorption from the gastrointestinal tract.Compound 29ee (NM441), an N- derivative of 29a, was found to possess a favorable pharmacokinetic profile and oral activity superior to that of ciprofloxacin in experimental animals.
