1044586-68-6 Usage
Molecular Structure
The compound has a complex molecular structure that includes a pyrazole ring and a carboxamide group.
Chlorinated Phenyl Groups
The compound contains a 6-(4-chlorophenyl) and a 7-(2,4-dichlorophenyl) group, which contribute to its chemical properties and potential pharmacological activities.
Pyrano[2,3-b]pyridine Core
The compound has a 3,4-dihydro-2,2-dimethyl-2H-pyrano[2,3-b]pyridin-4-yl] moiety, which serves as the central core of the molecule and provides a basis for its potential biological activities.
Methyl Group
The compound has a 5-methyl group, which can influence its lipophilicity and potential interactions with biological targets.
Potential Pharmacological Properties
Due to its intricate structure and various functional groups, the compound may possess pharmacological properties that make it a subject of interest for research and development in medicine and pharmaceuticals.
Chemical Stability
The presence of multiple chlorine atoms and the pyrazole ring may contribute to the compound's chemical stability, making it suitable for further studies and potential applications.
Synthetic Accessibility
The compound's structure suggests that it may be synthesized through a series of chemical reactions, allowing for the production of larger quantities for research and development purposes.
Potential Drug Interactions
The presence of multiple functional groups and the complex structure of the compound may lead to interactions with other drugs or biological molecules, which could be explored for potential therapeutic applications.
Structural Analogs
The compound's structure may serve as a basis for the development of structural analogs with modified properties or improved pharmacological activities, further expanding its potential applications in medicine and pharmaceuticals.
Check Digit Verification of cas no
The CAS Registry Mumber 1044586-68-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,4,4,5,8 and 6 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1044586-68:
(9*1)+(8*0)+(7*4)+(6*4)+(5*5)+(4*8)+(3*6)+(2*6)+(1*8)=156
156 % 10 = 6
So 1044586-68-6 is a valid CAS Registry Number.
1044586-68-6Relevant articles and documents
Discovery of N -[(4 R)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2- dimethyl-3,4-dihydro-2 H -pyrano[2,3- b ]pyridin-4-yl]-5-methyl-1 H -pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity
Yan, Lin,Huo, Pei,Debenham, John S.,Madsen-Duggan, Christina B.,Lao, Julie,Chen, Richard Z.,Xiao, Jing Chen,Shen, Chun-Pyn,Stribling, D. Sloan,Shearman, Lauren P.,Strack, Alison M.,Tsou, Nancy,Ball, Richard G.,Wang, Junying,Tong, Xinchun,Bateman, Thomas J.,Reddy, Vijay B. G.,Fong, Tung M.,Hale, Jeffrey J.
experimental part, p. 4028 - 4037 (2010/08/20)
This paper describes the discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4- dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl] -5-methyl-1H-pyrazole-3-carboxamide (MK-5596, 12c) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. Structure-activity relationship (SAR) studies of lead compound 3, which had off-target hERG (human ether-a-go-go related gene) inhibition activity, led to the identification of several compounds that not only had attenuated hERG inhibition activity but also were subject to glucuronidation in vitro providing the potential for multiple metabolic clearance pathways. Among them, pyrazole 12c was found to be a highly selective CB1R inverse agonist that reduced body weight and food intake in a DIO (diet-induced obese) rat model through a CB1R-mediated mechanism. Although 12c was a substrate of P-glycoprotein (P-gp) transporter, its high in vivo efficacy in rodents, good pharmacokinetic properties in preclinical species, good safety margins, and its potential for a balanced metabolism profile in man allowed for the further evaluation of this compound in the clinic.
SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS
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Page/Page column 143, (2008/12/07)
Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present in
