1049606-80-5 Usage
Derivative of isoquinoline
A heterocyclic compound This indicates that 1-chloroisoquinoline-3-carboxylic acid is derived from the basic structure of isoquinoline, which is a heterocyclic compound containing two unsaturated nitrogen atoms.
Class of carboxylic acids
A category of organic compounds This highlights that the compound belongs to the carboxylic acids, which are characterized by the presence of a carboxyl functional group (-COOH).
Used in synthesis of pharmaceuticals and agrochemicals
Building block for bioactive molecules This property suggests that 1-chloroisoquinoline-3-carboxylic acid serves as a starting material or intermediate in the production of various pharmaceutical and agrochemical compounds, due to its potential as a building block for bioactive molecules.
Exhibits antibacterial activity
Potential therapeutic applications This property indicates that the compound has the ability to inhibit or kill bacteria, making it a potential candidate for the development of new antibacterial drugs.
Studied for treatment of bacterial infections
Therapeutic applications This specific content implies that researchers have investigated the use of 1-chloroisoquinoline-3-carboxylic acid in the treatment of bacterial infections, further emphasizing its potential as a therapeutic agent.
Used as a ligand in catalyst development
Organic synthesis applications This property highlights the compound's role as a ligand in the development of catalysts for organic synthesis, which can help improve the efficiency and selectivity of chemical reactions.
Important intermediate in chemical compound production
Diverse applications in medicine and agriculture This indicates that 1-chloroisoquinoline-3-carboxylic acid is a crucial intermediate in the synthesis of various chemical compounds, with potential applications in both medicine and agriculture, contributing to future advancements in these fields.
Check Digit Verification of cas no
The CAS Registry Mumber 1049606-80-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,4,9,6,0 and 6 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1049606-80:
(9*1)+(8*0)+(7*4)+(6*9)+(5*6)+(4*0)+(3*6)+(2*8)+(1*0)=155
155 % 10 = 5
So 1049606-80-5 is a valid CAS Registry Number.
1049606-80-5Relevant articles and documents
Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(isoquinoline-3′-carboxamido)morphinan analogues as opioid receptor ligands
Yuan, Yunyun,Zaidi, Saheem A.,Stevens, David L.,Scoggins, Krista L.,Mosier, Philip D.,Kellogg, Glen E.,Dewey, William L.,Selley, Dana E.,Zhang, Yan
, p. 1701 - 1715 (2015/03/30)
A series of 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(isoquinoline-3′-carboxamido)morphinan (NAQ) analogues were synthesized and pharmacologically characterized to study their structure-activity relationship at the mu opioid receptor (MOR). The competition binding assay showed two-atom spacer and aromatic side chain were optimal for MOR selectivity. Meanwhile, substitutions at the 1′- and/or 4′-position of the isoquinoline ring retained or improved MOR selectivity over the kappa opioid receptor while still possessing above 20-fold MOR selectivity over the delta opioid receptor. In contrast, substitutions at the 6′- and/or 7′-position of the isoquinoline ring reduced MOR selectivity as well as MOR efficacy. Among this series of ligands, compound 11 acted as an antagonist when challenged with morphine in warm-water tail immersion assay and produced less significant withdrawal symptoms compared to naltrexone in morphine-pelleted mice. Compound 11 also antagonized the intracellular Ca2+ increase induced by DAMGO. Molecular dynamics simulation studies of 11 in three opioid receptors indicated orientation of the 6′-nitro group varied significantly in the different 'address' domains of the receptors and played a crucial role in the observed binding affinities and selectivity. Collectively, the current findings provide valuable insights for future development of NAQ-based MOR selective ligands.
